A1949/0081913
TL;DR: A1949/0081913 (CAS 312511-91-4) is a chemical compound with molecular formula C14H14N2O4S and molecular weight 306.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate
Also Known As: A1949/0081913, ethyl 2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate, ethyl {[3-cyano-4-(furan-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate, ethyl 2-((3-cyano-4-(furan-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate, ETHYL 2-{[3-CYANO-4-(FURAN-2-YL)-6-OXO-1,4,5,6-TETRAHYDROPYRIDIN-2-YL]SULFANYL}ACETATE
| Molecular Formula | C14H14N2O4S |
|---|---|
| Molecular Weight | 306.07 g/mol |
| LogP | 1.91458 |
| Topological Polar Surface Area | 92.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.0674 |
| Heavy Atoms | 21 |
| Complexity | 600.99023 |
Chemical Identifiers
| CAS Number | 312511-91-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC=CO2)C#N |
Product Overview
A1949/0081913 (CAS 312511-91-4), with molecular formula C14H14N2O4S and molecular weight 306.07 g/mol. IUPAC: ethyl 2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate.
Chemical Property Profile of A1949/0081913
Property Insights of A1949/0081913
The XLogP value of 1.91458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1949/0081913. The TPSA of 92.33 Ų falls within the moderate polarity range, balancing permeability and solubility for A1949/0081913. Following Lipinski's Rule of Five, A1949/0081913 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 A1949/0081913?
The CAS number of A1949/0081913 is 312511-91-4.
What is the molecular formula of A1949/0081913?
The molecular formula of A1949/0081913 is C14H14N2O4S.
What is the molecular weight of A1949/0081913?
The molecular weight of A1949/0081913 is 306.07 g/mol.
Where can I buy A1949/0081913?
You can request a quote for A1949/0081913 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1949/0081913?
Yes, KEHONG BIO provides custom synthesis services for A1949/0081913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.