AB00101353-01
TL;DR: AB00101353-01 (CAS 1396963-78-2) is a chemical compound with molecular formula C15H16Cl2N2O4S and molecular weight 390.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-3-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoate
Also Known As: AB00101353-01, A2061/0086724, ethyl 2-amino-3-((1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl)thio)propanoate, ethyl S-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]cysteinate, ethyl 2-amino-3-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoate
| Molecular Formula | C15H16Cl2N2O4S |
|---|---|
| Molecular Weight | 390.02 g/mol |
| LogP | 2.2489 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.02078 |
| Heavy Atoms | 24 |
| Complexity | 670.8742 |
Chemical Identifiers
| CAS Number | 1396963-78-2 |
|---|---|
| SMILES | CCOC(=O)C(CSC1CC(=O)N(C1=O)C2=CC(=C(C=C2)Cl)Cl)N |
Product Overview
AB00101353-01 (CAS 1396963-78-2), with molecular formula C15H16Cl2N2O4S and molecular weight 390.02 g/mol. IUPAC: ethyl 2-amino-3-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoate.
Chemical Property Profile of AB00101353-01
Property Insights of AB00101353-01
The XLogP value of 2.2489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00101353-01. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00101353-01. Following Lipinski's Rule of Five, AB00101353-01 has 1 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 AB00101353-01?
The CAS number of AB00101353-01 is 1396963-78-2.
What is the molecular formula of AB00101353-01?
The molecular formula of AB00101353-01 is C15H16Cl2N2O4S.
What is the molecular weight of AB00101353-01?
The molecular weight of AB00101353-01 is 390.02 g/mol.
Where can I buy AB00101353-01?
You can request a quote for AB00101353-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00101353-01?
Yes, KEHONG BIO provides custom synthesis services for AB00101353-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.