2-Oxa-6,9,15-triazahexadecan-16-oic acid, 13-hydroxy-8-(1-methylethyl)-7,10-dioxo-14-(phenylmethyl)-11-((2,3,4-trimethoxyphenyl)methyl)-,1,1-dimethylethyl ester, (8S-(8R*,11S*,13R*,14R*))-
TL;DR: 2-Oxa-6,9,15-triazahexadecan-16-oic acid, 13-hydroxy-8-(1-methylethyl)-7,10-dioxo-14-(phenylmethyl)-11-((2,3,4-trimethoxyphenyl)methyl)-,1,1-dimethylethyl ester, (8S-(8R*,11S*,13R*,14R*))- (CAS 178047-86-4) is a chemical compound with molecular formula C36H55N3O9 and molecular weight 673.39 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-(3-methoxypropylamino)-3-methyl-1-oxobutan-2-yl]amino]-6-oxo-1-phenyl-5-[(2,3,4-trimethoxyphenyl)methyl]hexan-2-yl]carbamate
Also Known As: 2-Oxa-6,9,15-triazahexadecan-16-oic acid, 13-hydroxy-8-(1-methylethyl)-7,10-dioxo-14-(phenylmethyl)-11-((2,3,4-trimethoxyphenyl)methyl)-,1,1-dimethylethyl ester, (8S-(8R*,11S*,13R*,14R*))-, [(1S,2S,4R)-2-Hydroxy-5-[[(S)-2-methyl-1-[[(3-methoxypropyl)amino]carbonyl]propyl]amino]-5-oxo-1-benzyl-4-(2,3,4-trimethoxybenzyl)pentyl]carbamic acid tert-butyl ester, 2-Oxa-6,9,15-triazahexadecan-16-oic acid, 13-hydroxy-8-(1-methylethyl)-7,10-dioxo-14-(phenylmethyl)-11-[(2,3,4-trimethoxyphenyl)methyl]-,1,1-dimethylethyl ester, [8S-(8R*,11S*,13R*,14R*)]-, tert-Butyl {(2S,3S,5R)-3-hydroxy-6-({(2S)-1-[(3-methoxypropyl)amino]-3-methyl-1-oxobutan-2-yl}amino)-6-oxo-1-phenyl-5-[(2,3,4-trimethoxyphenyl)methyl]hexan-2-yl}carbamate, tert-butyl n-[(1s,2s,4r)-1-benzyl-2-hydroxy-5-[[(1s)-1-(3-methoxypropylcarbamoyl)-2-methyl-propyl]amino]-5-oxo-4-[(2,3,4-trimethoxyphenyl)methyl]pentyl]carbamate
| Molecular Formula | C36H55N3O9 |
|---|---|
| Molecular Weight | 673.39 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 21 |
| Exact Mass | 673.39386 |
| Heavy Atoms | 48 |
| Complexity | 953.0 |
Chemical Identifiers
| CAS Number | 178047-86-4 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)NCCCOC)NC(=O)[C@H](CC1=C(C(=C(C=C1)OC)OC)OC)C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O |
| InChIKey | DWOMOTUAJLXZBO-KGVZJERPSA-N |
Product Overview
2-Oxa-6,9,15-triazahexadecan-16-oic acid, 13-hydroxy-8-(1-methylethyl)-7,10-dioxo-14-(phenylmethyl)-11-((2,3,4-trimethoxyphenyl)methyl)-,1,1-dimethylethyl ester, (8S-(8R*,11S*,13R*,14R*))- (CAS 178047-86-4), with molecular formula C36H55N3O9 and molecular weight 673.39 g/mol. IUPAC: tert-butyl N-[(2S,3S,5R)-3-hydroxy-6-[[(2S)-1-(3-methoxypropylamino)-3-methyl-1-oxobutan-2-yl]amino]-6-oxo-1-phenyl-5-[(2,3,4-trimethoxyphenyl)methyl]hexan-2-yl]carbamate.
Chemical Property Profile of 2-Oxa-6,9,15-triazahexadecan-16-oic acid, 13-hydroxy-8-(1-methylethyl)-7,10-dioxo-14-(phenylmethyl)-11-((2,3,4-trimethoxyphenyl)methyl)-,1,1-dimethylethyl ester, (8S-(8R*,11S*,13R*,14R*))-
Property Insights of 2-Oxa-6,9,15-triazahexadecan-16-oic acid, 13-hydroxy-8-(1-methylethyl)-7,10-dioxo-14-(phenylmethyl)-11-((2,3,4-trimethoxyphenyl)methyl)-,1,1-dimethylethyl ester, (8S-(8R*,11S*,13R*,14R*))-
The XLogP value of 4.8 indicates that 2-Oxa-6,9,15-triazahexadecan-16-oic acid, 13-hydroxy-8-(1-methylethyl)-7,10-dioxo-14-(phenylmethyl)-11-((2,3,4-trimethoxyphenyl)methyl)-,1,1-dimethylethyl ester, (8S-(8R*,11S*,13R*,14R*))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting 2-Oxa-6,9,15-triazahexadecan-16-oic acid, 13-hydroxy-8-(1-methylethyl)-7,10-dioxo-14-(phenylmethyl)-11-((2,3,4-trimethoxyphenyl)methyl)-,1,1-dimethylethyl ester, (8S-(8R*,11S*,13R*,14R*))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Oxa-6,9,15-triazahexadecan-16-oic acid, 13-hydroxy-8-(1-methylethyl)-7,10-dioxo-14-(phenylmethyl)-11-((2,3,4-trimethoxyphenyl)methyl)-,1,1-dimethylethyl ester, (8S-(8R*,11S*,13R*,14R*))- 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 2-Oxa-6,9,15-triazahexadecan-16-oic acid, 13-hydroxy-8-(1-methylethyl)-7,10-dioxo-14-(phenylmethyl)-11-((2,3,4-trimethoxyphenyl)methyl)-,1,1-dimethylethyl ester, (8S-(8R*,11S*,13R*,14R*))-?
The CAS number of 2-Oxa-6,9,15-triazahexadecan-16-oic acid, 13-hydroxy-8-(1-methylethyl)-7,10-dioxo-14-(phenylmethyl)-11-((2,3,4-trimethoxyphenyl)methyl)-,1,1-dimethylethyl ester, (8S-(8R*,11S*,13R*,14R*))- is 178047-86-4.
What is the molecular formula of 2-Oxa-6,9,15-triazahexadecan-16-oic acid, 13-hydroxy-8-(1-methylethyl)-7,10-dioxo-14-(phenylmethyl)-11-((2,3,4-trimethoxyphenyl)methyl)-,1,1-dimethylethyl ester, (8S-(8R*,11S*,13R*,14R*))-?
The molecular formula of 2-Oxa-6,9,15-triazahexadecan-16-oic acid, 13-hydroxy-8-(1-methylethyl)-7,10-dioxo-14-(phenylmethyl)-11-((2,3,4-trimethoxyphenyl)methyl)-,1,1-dimethylethyl ester, (8S-(8R*,11S*,13R*,14R*))- is C36H55N3O9.
What is the molecular weight of 2-Oxa-6,9,15-triazahexadecan-16-oic acid, 13-hydroxy-8-(1-methylethyl)-7,10-dioxo-14-(phenylmethyl)-11-((2,3,4-trimethoxyphenyl)methyl)-,1,1-dimethylethyl ester, (8S-(8R*,11S*,13R*,14R*))-?
The molecular weight of 2-Oxa-6,9,15-triazahexadecan-16-oic acid, 13-hydroxy-8-(1-methylethyl)-7,10-dioxo-14-(phenylmethyl)-11-((2,3,4-trimethoxyphenyl)methyl)-,1,1-dimethylethyl ester, (8S-(8R*,11S*,13R*,14R*))- is 673.39 g/mol.
Where can I buy 2-Oxa-6,9,15-triazahexadecan-16-oic acid, 13-hydroxy-8-(1-methylethyl)-7,10-dioxo-14-(phenylmethyl)-11-((2,3,4-trimethoxyphenyl)methyl)-,1,1-dimethylethyl ester, (8S-(8R*,11S*,13R*,14R*))-?
You can request a quote for 2-Oxa-6,9,15-triazahexadecan-16-oic acid, 13-hydroxy-8-(1-methylethyl)-7,10-dioxo-14-(phenylmethyl)-11-((2,3,4-trimethoxyphenyl)methyl)-,1,1-dimethylethyl ester, (8S-(8R*,11S*,13R*,14R*))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxa-6,9,15-triazahexadecan-16-oic acid, 13-hydroxy-8-(1-methylethyl)-7,10-dioxo-14-(phenylmethyl)-11-((2,3,4-trimethoxyphenyl)methyl)-,1,1-dimethylethyl ester, (8S-(8R*,11S*,13R*,14R*))-?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxa-6,9,15-triazahexadecan-16-oic acid, 13-hydroxy-8-(1-methylethyl)-7,10-dioxo-14-(phenylmethyl)-11-((2,3,4-trimethoxyphenyl)methyl)-,1,1-dimethylethyl ester, (8S-(8R*,11S*,13R*,14R*))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.