Carbamic acid, (4-((3,4-dimethoxyphenyl)methyl)-2-hydroxy-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*(R*))))-
TL;DR: Carbamic acid, (4-((3,4-dimethoxyphenyl)methyl)-2-hydroxy-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*(R*))))- (CAS 165453-87-2) is a chemical compound with molecular formula C44H60N4O9 and molecular weight 788.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(2S,3S,5R)-5-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-6-[[(2S)-3-methyl-1-[[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate
Also Known As: Carbamic acid, (4-((3,4-dimethoxyphenyl)methyl)-2-hydroxy-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*(R*))))-, [(1S,2S,4R)-2-Hydroxy-5-[[(S)-2-methyl-1-[[[(S)-2-morpholino-2-oxo-1-benzylethyl]amino]carbonyl]propyl]amino]-5-oxo-1-benzyl-4-(3,4-dimethoxybenzyl)pentyl]carbamic acid tert-butyl ester, Carbamic acid, [4-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-5-[[2-methyl-1-[[[2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]propyl]amino]-5-oxo-1-(phenylmethyl)pentyl]-, 1,1-dimethylethyl ester, [1S-[1R*,2R*,4S*,5[R*(R*)]]]-, tert-Butyl [(2S,3S,5R)-5-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-6-{[(2S)-3-methyl-1-{[(2S)-1-(morpholin-4-yl)-1-oxo-3-phenylpropan-2-yl]amino}-1-oxobutan-2-yl]amino}-6-oxo-1-phenylhexan-2-yl]carbamate, tert-butyl n-[(1s,2s,4r)-1-benzyl-5-[[(1s)-1-[[(1s)-1-benzyl-2-morpholino-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-4-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-5-oxo-pentyl]carbamate
| Molecular Formula | C44H60N4O9 |
|---|---|
| Molecular Weight | 788.44 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 20 |
| Exact Mass | 788.43604 |
| Heavy Atoms | 57 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 165453-87-2 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCOCC2)NC(=O)[C@H](CC3=CC(=C(C=C3)OC)OC)C[C@@H]([C@H](CC4=CC=CC=C4)NC(=O)OC(C)(C)C)O |
| InChIKey | KIIHNSIBDUKZMM-ZLMBRCODSA-N |
Product Overview
Carbamic acid, (4-((3,4-dimethoxyphenyl)methyl)-2-hydroxy-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*(R*))))- (CAS 165453-87-2), with molecular formula C44H60N4O9 and molecular weight 788.44 g/mol. IUPAC: tert-butyl N-[(2S,3S,5R)-5-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-6-[[(2S)-3-methyl-1-[[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate.
Chemical Property Profile of Carbamic acid, (4-((3,4-dimethoxyphenyl)methyl)-2-hydroxy-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*(R*))))-
Property Insights of Carbamic acid, (4-((3,4-dimethoxyphenyl)methyl)-2-hydroxy-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*(R*))))-
The XLogP value of 5.7 indicates that Carbamic acid, (4-((3,4-dimethoxyphenyl)methyl)-2-hydroxy-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*(R*))))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 165.0 Ų indicates high polarity, suggesting Carbamic acid, (4-((3,4-dimethoxyphenyl)methyl)-2-hydroxy-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*(R*))))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbamic acid, (4-((3,4-dimethoxyphenyl)methyl)-2-hydroxy-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*(R*))))- has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbamic acid, (4-((3,4-dimethoxyphenyl)methyl)-2-hydroxy-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*(R*))))-?
The CAS number of Carbamic acid, (4-((3,4-dimethoxyphenyl)methyl)-2-hydroxy-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*(R*))))- is 165453-87-2.
What is the molecular formula of Carbamic acid, (4-((3,4-dimethoxyphenyl)methyl)-2-hydroxy-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*(R*))))-?
The molecular formula of Carbamic acid, (4-((3,4-dimethoxyphenyl)methyl)-2-hydroxy-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*(R*))))- is C44H60N4O9.
What is the molecular weight of Carbamic acid, (4-((3,4-dimethoxyphenyl)methyl)-2-hydroxy-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*(R*))))-?
The molecular weight of Carbamic acid, (4-((3,4-dimethoxyphenyl)methyl)-2-hydroxy-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*(R*))))- is 788.44 g/mol.
Where can I buy Carbamic acid, (4-((3,4-dimethoxyphenyl)methyl)-2-hydroxy-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*(R*))))-?
You can request a quote for Carbamic acid, (4-((3,4-dimethoxyphenyl)methyl)-2-hydroxy-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*(R*))))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, (4-((3,4-dimethoxyphenyl)methyl)-2-hydroxy-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*(R*))))-?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (4-((3,4-dimethoxyphenyl)methyl)-2-hydroxy-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*(R*))))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.