(S)-Ethyl 2-(1-((S)-2-(acetylthio)-3-methylbutanamido)cyclopentanecarboxamido)-3-(4-methoxyphenyl)propanoate
TL;DR: (S)-Ethyl 2-(1-((S)-2-(acetylthio)-3-methylbutanamido)cyclopentanecarboxamido)-3-(4-methoxyphenyl)propanoate (CAS 169319-62-4) is a chemical compound with molecular formula C25H36N2O6S and molecular weight 492.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-[[1-[[(2S)-2-acetylsulfanyl-3-methylbutanoyl]amino]cyclopentanecarbonyl]amino]-3-(4-methoxyphenyl)propanoate
Also Known As: (S)-Ethyl 2-(1-((S)-2-(acetylthio)-3-methylbutanamido)cyclopentanecarboxamido)-3-(4-methoxyphenyl)propanoate
| Molecular Formula | C25H36N2O6S |
|---|---|
| Molecular Weight | 492.23 g/mol |
| LogP | 3.0189 |
| Topological Polar Surface Area | 110.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 492.2294 |
| Heavy Atoms | 34 |
| Complexity | 864.66174 |
Chemical Identifiers
| CAS Number | 169319-62-4 |
|---|---|
| SMILES | CCOC(=O)[C@H](CC1=CC=C(C=C1)OC)NC(=O)C2(CCCC2)NC(=O)[C@H](C(C)C)SC(=O)C |
Product Overview
(S)-Ethyl 2-(1-((S)-2-(acetylthio)-3-methylbutanamido)cyclopentanecarboxamido)-3-(4-methoxyphenyl)propanoate (CAS 169319-62-4), with molecular formula C25H36N2O6S and molecular weight 492.23 g/mol. IUPAC: ethyl (2S)-2-[[1-[[(2S)-2-acetylsulfanyl-3-methylbutanoyl]amino]cyclopentanecarbonyl]amino]-3-(4-methoxyphenyl)propanoate.
Chemical Property Profile of (S)-Ethyl 2-(1-((S)-2-(acetylthio)-3-methylbutanamido)cyclopentanecarboxamido)-3-(4-methoxyphenyl)propanoate
Property Insights of (S)-Ethyl 2-(1-((S)-2-(acetylthio)-3-methylbutanamido)cyclopentanecarboxamido)-3-(4-methoxyphenyl)propanoate
The XLogP value of 3.0189 indicates that (S)-Ethyl 2-(1-((S)-2-(acetylthio)-3-methylbutanamido)cyclopentanecarboxamido)-3-(4-methoxyphenyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-Ethyl 2-(1-((S)-2-(acetylthio)-3-methylbutanamido)cyclopentanecarboxamido)-3-(4-methoxyphenyl)propanoate. Following Lipinski's Rule of Five, (S)-Ethyl 2-(1-((S)-2-(acetylthio)-3-methylbutanamido)cyclopentanecarboxamido)-3-(4-methoxyphenyl)propanoate has 2 hydrogen bond donor(s) and 7 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 (S)-Ethyl 2-(1-((S)-2-(acetylthio)-3-methylbutanamido)cyclopentanecarboxamido)-3-(4-methoxyphenyl)propanoate?
The CAS number of (S)-Ethyl 2-(1-((S)-2-(acetylthio)-3-methylbutanamido)cyclopentanecarboxamido)-3-(4-methoxyphenyl)propanoate is 169319-62-4.
What is the molecular formula of (S)-Ethyl 2-(1-((S)-2-(acetylthio)-3-methylbutanamido)cyclopentanecarboxamido)-3-(4-methoxyphenyl)propanoate?
The molecular formula of (S)-Ethyl 2-(1-((S)-2-(acetylthio)-3-methylbutanamido)cyclopentanecarboxamido)-3-(4-methoxyphenyl)propanoate is C25H36N2O6S.
What is the molecular weight of (S)-Ethyl 2-(1-((S)-2-(acetylthio)-3-methylbutanamido)cyclopentanecarboxamido)-3-(4-methoxyphenyl)propanoate?
The molecular weight of (S)-Ethyl 2-(1-((S)-2-(acetylthio)-3-methylbutanamido)cyclopentanecarboxamido)-3-(4-methoxyphenyl)propanoate is 492.23 g/mol.
Where can I buy (S)-Ethyl 2-(1-((S)-2-(acetylthio)-3-methylbutanamido)cyclopentanecarboxamido)-3-(4-methoxyphenyl)propanoate?
You can request a quote for (S)-Ethyl 2-(1-((S)-2-(acetylthio)-3-methylbutanamido)cyclopentanecarboxamido)-3-(4-methoxyphenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-Ethyl 2-(1-((S)-2-(acetylthio)-3-methylbutanamido)cyclopentanecarboxamido)-3-(4-methoxyphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-Ethyl 2-(1-((S)-2-(acetylthio)-3-methylbutanamido)cyclopentanecarboxamido)-3-(4-methoxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.