11P-061
TL;DR: 11P-061 (CAS 1397003-49-4) is a chemical compound with molecular formula C20H30N2O5S and molecular weight 410.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpropanoate
Also Known As: 11P-061, ethyl 2-[(tert-butoxycarbonyl)amino]-3-{[2-oxo-2-(phenethylamino)ethyl]sulfanyl}propanoate, ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpropanoate, ethyl 2-{[(tert-butoxy)carbonyl]amino}-3-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)propanoate, ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-oxo-2-(phenethylamino)ethyl]sulfanylpropanoate
| Molecular Formula | C20H30N2O5S |
|---|---|
| Molecular Weight | 410.19 g/mol |
| LogP | 2.5349 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 410.18753 |
| Heavy Atoms | 28 |
| Complexity | 631.2333 |
Chemical Identifiers
| CAS Number | 1397003-49-4 |
|---|---|
| SMILES | CCOC(=O)C(CSCC(=O)NCCC1=CC=CC=C1)NC(=O)OC(C)(C)C |
Product Overview
11P-061 (CAS 1397003-49-4), with molecular formula C20H30N2O5S and molecular weight 410.19 g/mol. IUPAC: ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpropanoate.
Chemical Property Profile of 11P-061
Property Insights of 11P-061
The XLogP value of 2.5349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11P-061. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 11P-061. Following Lipinski's Rule of Five, 11P-061 has 2 hydrogen bond donor(s) and 6 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 11P-061?
The CAS number of 11P-061 is 1397003-49-4.
What is the molecular formula of 11P-061?
The molecular formula of 11P-061 is C20H30N2O5S.
What is the molecular weight of 11P-061?
The molecular weight of 11P-061 is 410.19 g/mol.
Where can I buy 11P-061?
You can request a quote for 11P-061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11P-061?
Yes, KEHONG BIO provides custom synthesis services for 11P-061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.