AB00400601-05
TL;DR: AB00400601-05 (CAS 370849-30-2) is a chemical compound with molecular formula C21H22N2O3S and molecular weight 382.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-cyano-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate
Also Known As: AB00400601-05, AE-848/40937975, ethyl 2-((3-cyano-5-oxo-4-(o-tolyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetate, ethyl {[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-2-quinolinyl]sulfanyl}acetate, ethyl {[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate
| Molecular Formula | C21H22N2O3S |
|---|---|
| Molecular Weight | 382.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.1351 |
| Heavy Atoms | 27 |
| Complexity | 731.0 |
Chemical Identifiers
| CAS Number | 370849-30-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3C)C#N |
| InChIKey | LBZPCAKFVHERJL-UHFFFAOYSA-N |
Product Overview
AB00400601-05 (CAS 370849-30-2), with molecular formula C21H22N2O3S and molecular weight 382.14 g/mol. IUPAC: ethyl 2-[[3-cyano-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate.
Chemical Property Profile of AB00400601-05
Property Insights of AB00400601-05
The XLogP value of 3.3 indicates that AB00400601-05 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00400601-05. Following Lipinski's Rule of Five, AB00400601-05 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 AB00400601-05?
The CAS number of AB00400601-05 is 370849-30-2.
What is the molecular formula of AB00400601-05?
The molecular formula of AB00400601-05 is C21H22N2O3S.
What is the molecular weight of AB00400601-05?
The molecular weight of AB00400601-05 is 382.14 g/mol.
Where can I buy AB00400601-05?
You can request a quote for AB00400601-05 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00400601-05?
Yes, KEHONG BIO provides custom synthesis services for AB00400601-05 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.