AB00090247-01
TL;DR: AB00090247-01 (CAS 330557-65-8) is a chemical compound with molecular formula C14H14N2O3S2 and molecular weight 322.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-cyano-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate
Also Known As: AB00090247-01, AB00090247-02, F0192-0254, methyl 2-{[3-cyano-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate, methyl {[3-cyano-6-hydroxy-4-(3-methylthiophen-2-yl)-4,5-dihydropyridin-2-yl]sulfanyl}acetate
| Molecular Formula | C14H14N2O3S2 |
|---|---|
| Molecular Weight | 322.04 g/mol |
| LogP | 2.3014 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.0446 |
| Heavy Atoms | 21 |
| Complexity | 642.88947 |
Chemical Identifiers
| CAS Number | 330557-65-8 |
|---|---|
| SMILES | CC1=C(SC=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OC |
Product Overview
AB00090247-01 (CAS 330557-65-8), with molecular formula C14H14N2O3S2 and molecular weight 322.04 g/mol. IUPAC: methyl 2-[[5-cyano-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate.
Chemical Property Profile of AB00090247-01
Property Insights of AB00090247-01
The XLogP value of 2.3014 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00090247-01. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00090247-01. Following Lipinski's Rule of Five, AB00090247-01 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 AB00090247-01?
The CAS number of AB00090247-01 is 330557-65-8.
What is the molecular formula of AB00090247-01?
The molecular formula of AB00090247-01 is C14H14N2O3S2.
What is the molecular weight of AB00090247-01?
The molecular weight of AB00090247-01 is 322.04 g/mol.
Where can I buy AB00090247-01?
You can request a quote for AB00090247-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00090247-01?
Yes, KEHONG BIO provides custom synthesis services for AB00090247-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.