ChemDiv1_018328
TL;DR: ChemDiv1_018328 (CAS 330557-89-6) 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.
methyl 2-[[5-cyano-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate
Also Known As: ChemDiv1_018328, BAS 00866198, AB00592728-02, F0192-0289, methyl {[3-cyano-4-(5-methylfuran-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
| Molecular Formula | C14H14N2O4S |
|---|---|
| Molecular Weight | 306.07 g/mol |
| LogP | 1.8329 |
| Topological Polar Surface Area | 92.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.0674 |
| Heavy Atoms | 21 |
| Complexity | 641.64435 |
Chemical Identifiers
| CAS Number | 330557-89-6 |
|---|---|
| SMILES | CC1=CC=C(O1)C2CC(=O)NC(=C2C#N)SCC(=O)OC |
Product Overview
ChemDiv1_018328 (CAS 330557-89-6), with molecular formula C14H14N2O4S and molecular weight 306.07 g/mol. IUPAC: methyl 2-[[5-cyano-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate.
Chemical Property Profile of ChemDiv1_018328
Property Insights of ChemDiv1_018328
The XLogP value of 1.8329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_018328. The TPSA of 92.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_018328. Following Lipinski's Rule of Five, ChemDiv1_018328 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 ChemDiv1_018328?
The CAS number of ChemDiv1_018328 is 330557-89-6.
What is the molecular formula of ChemDiv1_018328?
The molecular formula of ChemDiv1_018328 is C14H14N2O4S.
What is the molecular weight of ChemDiv1_018328?
The molecular weight of ChemDiv1_018328 is 306.07 g/mol.
Where can I buy ChemDiv1_018328?
You can request a quote for ChemDiv1_018328 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018328?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018328 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.