![[(1S,2S,4R)-2-Hydroxy-5-[[(S)-2-methyl-1-[[(2-methoxyethyl)amino]carbonyl]propyl]amino]-5-oxo-1-benzyl-4-(4-methoxybenzyl)pentyl]carbamic acid tert-butyl ester structure](/static/products/1780/178047-91-1.webp)
[(1S,2S,4R)-2-Hydroxy-5-[[(S)-2-methyl-1-[[(2-methoxyethyl)amino]carbonyl]propyl]amino]-5-oxo-1-benzyl-4-(4-methoxybenzyl)pentyl]carbamic acid tert-butyl ester
TL;DR: [(1S,2S,4R)-2-Hydroxy-5-[[(S)-2-methyl-1-[[(2-methoxyethyl)amino]carbonyl]propyl]amino]-5-oxo-1-benzyl-4-(4-methoxybenzyl)pentyl]carbamic acid tert-butyl ester (CAS 178047-91-1) is a chemical compound with molecular formula C33H49N3O7 and molecular weight 599.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(2S,3S,5R)-3-hydroxy-6-[[(2S)-1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-6-oxo-1-phenylhexan-2-yl]carbamate
Also Known As: [(1S,2S,4R)-2-Hydroxy-5-[[(S)-2-methyl-1-[[(2-methoxyethyl)amino]carbonyl]propyl]amino]-5-oxo-1-benzyl-4-(4-methoxybenzyl)pentyl]carbamic acid tert-butyl ester|2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-10-((4-methoxyphenyl)methyl)-7-(1-methylethyl)-6,9-dioxo-13-(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))-|(2R,4S,5S)-5-{[tert-Butoxy(hydroxy)methylidene]amino}-4-hydroxy-N-{(2S)-1-hydroxy-1-[(2-methoxyethyl)imino]-3-methylbutan-2-yl}-2-[(4-methoxyphenyl)methyl]-6-phenylhexanimidic acid|2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-10-[(4-methoxyphenyl)methyl]-7-(1-methylethyl)-6,9-dioxo-13-(phenylmethyl)-, 1,1-dimethylethyl ester, [7S-(7R*,10S*,12R*,13R*)]-|5-{[tert-Butoxy(hydroxy)methylidene]amino}-4-hydroxy-N-{1-hydroxy-1-[(2-methoxyethyl)imino]-3-methylbutan-2-yl}-2-[(4-methoxyphenyl)methyl]-6-phenylhexanimidic acid|tert-butyl n-[(1s,2s,4r)-1-benzyl-2-hydroxy-5-[[(1s)-1-(2-methoxyethylcarbamoyl)-2-methyl-propyl]amino]-4-[(4-methoxyphenyl)methyl]-5-oxo-pentyl]carbamate|TERT-BUTYL N-[(2S,3S,5R)-3-HYDROXY-5-{[(1S)-1-[(2-METHOXYETHYL)CARBAMOYL]-2-METHYLPROPYL]CARBAMOYL}-5-[(4-METHOXYPHENYL)METHYL]-1-PHENYLPENTAN-2-YL]CARBAMATE|tert-butyl N-[(2S,3S,5R)-3-hydroxy-6-[[(2S)-1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-6-oxo-1-phenylhexan-2-yl]carbamate
| Molecular Formula | C33H49N3O7 |
|---|---|
| Molecular Weight | 599.36 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 18 |
| Exact Mass | 599.35706 |
| Heavy Atoms | 43 |
| Complexity | 833.0 |
Chemical Identifiers
| CAS Number | 178047-91-1 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)NCCOC)NC(=O)[C@H](CC1=CC=C(C=C1)OC)C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O |
| InChIKey | MUQJVLGDJSPMAX-ZIZDPRJYSA-N |
Product Overview
[(1S,2S,4R)-2-Hydroxy-5-[[(S)-2-methyl-1-[[(2-methoxyethyl)amino]carbonyl]propyl]amino]-5-oxo-1-benzyl-4-(4-methoxybenzyl)pentyl]carbamic acid tert-butyl ester (CAS 178047-91-1), with molecular formula C33H49N3O7 and molecular weight 599.36 g/mol. IUPAC: tert-butyl N-[(2S,3S,5R)-3-hydroxy-6-[[(2S)-1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-5-[(4-methoxyphenyl)methyl]-6-oxo-1-phenylhexan-2-yl]carbamate.
Chemical Property Profile of [(1S,2S,4R)-2-Hydroxy-5-[[(S)-2-methyl-1-[[(2-methoxyethyl)amino]carbonyl]propyl]amino]-5-oxo-1-benzyl-4-(4-methoxybenzyl)pentyl]carbamic acid tert-butyl ester
Property Insights of [(1S,2S,4R)-2-Hydroxy-5-[[(S)-2-methyl-1-[[(2-methoxyethyl)amino]carbonyl]propyl]amino]-5-oxo-1-benzyl-4-(4-methoxybenzyl)pentyl]carbamic acid tert-butyl ester
The XLogP value of 4.5 indicates that [(1S,2S,4R)-2-Hydroxy-5-[[(S)-2-methyl-1-[[(2-methoxyethyl)amino]carbonyl]propyl]amino]-5-oxo-1-benzyl-4-(4-methoxybenzyl)pentyl]carbamic acid tert-butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1S,2S,4R)-2-Hydroxy-5-[[(S)-2-methyl-1-[[(2-methoxyethyl)amino]carbonyl]propyl]amino]-5-oxo-1-benzyl-4-(4-methoxybenzyl)pentyl]carbamic acid tert-butyl ester. Following Lipinski's Rule of Five, [(1S,2S,4R)-2-Hydroxy-5-[[(S)-2-methyl-1-[[(2-methoxyethyl)amino]carbonyl]propyl]amino]-5-oxo-1-benzyl-4-(4-methoxybenzyl)pentyl]carbamic acid tert-butyl ester has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [(1S,2S,4R)-2-Hydroxy-5-[[(S)-2-methyl-1-[[(2-methoxyethyl)amino]carbonyl]propyl]amino]-5-oxo-1-benzyl-4-(4-methoxybenzyl)pentyl]carbamic acid tert-butyl ester?
The CAS number of [(1S,2S,4R)-2-Hydroxy-5-[[(S)-2-methyl-1-[[(2-methoxyethyl)amino]carbonyl]propyl]amino]-5-oxo-1-benzyl-4-(4-methoxybenzyl)pentyl]carbamic acid tert-butyl ester is 178047-91-1.
What is the molecular formula of [(1S,2S,4R)-2-Hydroxy-5-[[(S)-2-methyl-1-[[(2-methoxyethyl)amino]carbonyl]propyl]amino]-5-oxo-1-benzyl-4-(4-methoxybenzyl)pentyl]carbamic acid tert-butyl ester?
The molecular formula of [(1S,2S,4R)-2-Hydroxy-5-[[(S)-2-methyl-1-[[(2-methoxyethyl)amino]carbonyl]propyl]amino]-5-oxo-1-benzyl-4-(4-methoxybenzyl)pentyl]carbamic acid tert-butyl ester is C33H49N3O7.
What is the molecular weight of [(1S,2S,4R)-2-Hydroxy-5-[[(S)-2-methyl-1-[[(2-methoxyethyl)amino]carbonyl]propyl]amino]-5-oxo-1-benzyl-4-(4-methoxybenzyl)pentyl]carbamic acid tert-butyl ester?
The molecular weight of [(1S,2S,4R)-2-Hydroxy-5-[[(S)-2-methyl-1-[[(2-methoxyethyl)amino]carbonyl]propyl]amino]-5-oxo-1-benzyl-4-(4-methoxybenzyl)pentyl]carbamic acid tert-butyl ester is 599.36 g/mol.
Where can I buy [(1S,2S,4R)-2-Hydroxy-5-[[(S)-2-methyl-1-[[(2-methoxyethyl)amino]carbonyl]propyl]amino]-5-oxo-1-benzyl-4-(4-methoxybenzyl)pentyl]carbamic acid tert-butyl ester?
You can request a quote for [(1S,2S,4R)-2-Hydroxy-5-[[(S)-2-methyl-1-[[(2-methoxyethyl)amino]carbonyl]propyl]amino]-5-oxo-1-benzyl-4-(4-methoxybenzyl)pentyl]carbamic acid tert-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1S,2S,4R)-2-Hydroxy-5-[[(S)-2-methyl-1-[[(2-methoxyethyl)amino]carbonyl]propyl]amino]-5-oxo-1-benzyl-4-(4-methoxybenzyl)pentyl]carbamic acid tert-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for [(1S,2S,4R)-2-Hydroxy-5-[[(S)-2-methyl-1-[[(2-methoxyethyl)amino]carbonyl]propyl]amino]-5-oxo-1-benzyl-4-(4-methoxybenzyl)pentyl]carbamic acid tert-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.