AB01299338-01
TL;DR: AB01299338-01 (CAS 210766-84-0) is a chemical compound with molecular formula C17H16N2O2S2 and molecular weight 344.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate
Also Known As: AB01299338-01, Methyl ([3-cyano-4-(2-thienyl)-5,6,7,8-tetrahydro-2-quinolinyl]sulfanyl)acetate #, methyl {[3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate, methyl 2-((3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetate, methyl 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate
| Molecular Formula | C17H16N2O2S2 |
|---|---|
| Molecular Weight | 344.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.0653 |
| Heavy Atoms | 23 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 210766-84-0 |
|---|---|
| SMILES | COC(=O)CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=CS3 |
| InChIKey | CGNLDABFXHAVLA-UHFFFAOYSA-N |
Product Overview
AB01299338-01 (CAS 210766-84-0), with molecular formula C17H16N2O2S2 and molecular weight 344.07 g/mol. IUPAC: methyl 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate.
Chemical Property Profile of AB01299338-01
Property Insights of AB01299338-01
The XLogP value of 3.9 indicates that AB01299338-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01299338-01. Following Lipinski's Rule of Five, AB01299338-01 has 0 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 AB01299338-01?
The CAS number of AB01299338-01 is 210766-84-0.
What is the molecular formula of AB01299338-01?
The molecular formula of AB01299338-01 is C17H16N2O2S2.
What is the molecular weight of AB01299338-01?
The molecular weight of AB01299338-01 is 344.07 g/mol.
Where can I buy AB01299338-01?
You can request a quote for AB01299338-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01299338-01?
Yes, KEHONG BIO provides custom synthesis services for AB01299338-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.