![{6-[2-(Acetylsulfanyl)-3-phenylpropanamido]-2,2-dimethyl-7-oxoazepan-1-yl}acetic acid structure](/static/products/7235/7235-81-6.webp)
{6-[2-(Acetylsulfanyl)-3-phenylpropanamido]-2,2-dimethyl-7-oxoazepan-1-yl}acetic acid
TL;DR: {6-[2-(Acetylsulfanyl)-3-phenylpropanamido]-2,2-dimethyl-7-oxoazepan-1-yl}acetic acid (CAS 7235-81-6) is a chemical compound with molecular formula C21H28N2O5S and molecular weight 420.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-[(2-acetylsulfanyl-3-phenylpropanoyl)amino]-2,2-dimethyl-7-oxoazepan-1-yl]acetic acid
Also Known As: {6-[2-(Acetylsulfanyl)-3-phenylpropanamido]-2,2-dimethyl-7-oxoazepan-1-yl}acetic acid, 2-[6-[(2-acetylsulfanyl-3-phenylpropanoyl)amino]-2,2-dimethyl-7-oxoazepan-1-yl]acetic acid, 2-[6-[(2-acetylsulfanyl-3-phenyl-propanoyl)amino]-2,2-dimethyl-7-oxo-azepan-1-yl]acetic Acid, 6-[[2-(acetylthio)-1-oxo-3-phenylpropyl]amino]hexahydro-2,2-dimethyl-7-oxo-1H-azepine-1-acetic acid
| Molecular Formula | C21H28N2O5S |
|---|---|
| Molecular Weight | 420.17 g/mol |
| LogP | 2.2379 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.1719 |
| Heavy Atoms | 29 |
| Complexity | 765.5948 |
Chemical Identifiers
| CAS Number | 7235-81-6 |
|---|---|
| SMILES | CC(=O)SC(CC1=CC=CC=C1)C(=O)NC2CCCC(N(C2=O)CC(=O)O)(C)C |
Product Overview
{6-[2-(Acetylsulfanyl)-3-phenylpropanamido]-2,2-dimethyl-7-oxoazepan-1-yl}acetic acid (CAS 7235-81-6), with molecular formula C21H28N2O5S and molecular weight 420.17 g/mol. IUPAC: 2-[6-[(2-acetylsulfanyl-3-phenylpropanoyl)amino]-2,2-dimethyl-7-oxoazepan-1-yl]acetic acid.
Chemical Property Profile of {6-[2-(Acetylsulfanyl)-3-phenylpropanamido]-2,2-dimethyl-7-oxoazepan-1-yl}acetic acid
Property Insights of {6-[2-(Acetylsulfanyl)-3-phenylpropanamido]-2,2-dimethyl-7-oxoazepan-1-yl}acetic acid
The XLogP value of 2.2379 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {6-[2-(Acetylsulfanyl)-3-phenylpropanamido]-2,2-dimethyl-7-oxoazepan-1-yl}acetic acid. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for {6-[2-(Acetylsulfanyl)-3-phenylpropanamido]-2,2-dimethyl-7-oxoazepan-1-yl}acetic acid. Following Lipinski's Rule of Five, {6-[2-(Acetylsulfanyl)-3-phenylpropanamido]-2,2-dimethyl-7-oxoazepan-1-yl}acetic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of {6-[2-(Acetylsulfanyl)-3-phenylpropanamido]-2,2-dimethyl-7-oxoazepan-1-yl}acetic acid?
The CAS number of {6-[2-(Acetylsulfanyl)-3-phenylpropanamido]-2,2-dimethyl-7-oxoazepan-1-yl}acetic acid is 7235-81-6.
What is the molecular formula of {6-[2-(Acetylsulfanyl)-3-phenylpropanamido]-2,2-dimethyl-7-oxoazepan-1-yl}acetic acid?
The molecular formula of {6-[2-(Acetylsulfanyl)-3-phenylpropanamido]-2,2-dimethyl-7-oxoazepan-1-yl}acetic acid is C21H28N2O5S.
What is the molecular weight of {6-[2-(Acetylsulfanyl)-3-phenylpropanamido]-2,2-dimethyl-7-oxoazepan-1-yl}acetic acid?
The molecular weight of {6-[2-(Acetylsulfanyl)-3-phenylpropanamido]-2,2-dimethyl-7-oxoazepan-1-yl}acetic acid is 420.17 g/mol.
Where can I buy {6-[2-(Acetylsulfanyl)-3-phenylpropanamido]-2,2-dimethyl-7-oxoazepan-1-yl}acetic acid?
You can request a quote for {6-[2-(Acetylsulfanyl)-3-phenylpropanamido]-2,2-dimethyl-7-oxoazepan-1-yl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {6-[2-(Acetylsulfanyl)-3-phenylpropanamido]-2,2-dimethyl-7-oxoazepan-1-yl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {6-[2-(Acetylsulfanyl)-3-phenylpropanamido]-2,2-dimethyl-7-oxoazepan-1-yl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.