11P-085
TL;DR: 11P-085 (CAS 1396972-11-4) is a chemical compound with molecular formula C22H32N2O6S and molecular weight 452.20 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-[4-oxo-4-(2-phenylethylamino)butanoyl]sulfanylpropanoate
Also Known As: 11P-085, ethyl 2-[(tert-butoxycarbonyl)amino]-3-{[4-oxo-4-(phenethylamino)butanoyl]sulfanyl}propanoate, ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-oxo-4-(2-phenylethylamino)butanoyl]sulfanylpropanoate, ethyl 2-{[(tert-butoxy)carbonyl]amino}-3-({3-[(2-phenylethyl)carbamoyl]propanoyl}sulfanyl)propanoate, ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-oxo-4-(phenethylamino)butanoyl]sulfanylpropanoate
| Molecular Formula | C22H32N2O6S |
|---|---|
| Molecular Weight | 452.20 g/mol |
| LogP | 2.8417 |
| Topological Polar Surface Area | 110.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 452.19812 |
| Heavy Atoms | 31 |
| Complexity | 733.2667 |
Chemical Identifiers
| CAS Number | 1396972-11-4 |
|---|---|
| SMILES | CCOC(=O)C(CSC(=O)CCC(=O)NCCC1=CC=CC=C1)NC(=O)OC(C)(C)C |
Product Overview
11P-085 (CAS 1396972-11-4), with molecular formula C22H32N2O6S and molecular weight 452.20 g/mol. IUPAC: ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-oxo-4-(2-phenylethylamino)butanoyl]sulfanylpropanoate.
Chemical Property Profile of 11P-085
Property Insights of 11P-085
The XLogP value of 2.8417 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11P-085. The TPSA of 110.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 11P-085. Following Lipinski's Rule of Five, 11P-085 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 11P-085?
The CAS number of 11P-085 is 1396972-11-4.
What is the molecular formula of 11P-085?
The molecular formula of 11P-085 is C22H32N2O6S.
What is the molecular weight of 11P-085?
The molecular weight of 11P-085 is 452.20 g/mol.
Where can I buy 11P-085?
You can request a quote for 11P-085 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11P-085?
Yes, KEHONG BIO provides custom synthesis services for 11P-085 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.