C16H12N2O4S
TL;DR: C16H12N2O4S (CAS 1025666-72-1) is a chemical compound with molecular formula C16H12N2O4S and molecular weight 328.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[(E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoyl]amino]thiophene-2-carboxylate
Also Known As: (E)-methyl 3-(2-cyano-3-(4-hydroxyphenyl)acrylamido)thiophene-2-carboxylate, methyl 3-{[(2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoyl]amino}thiophene-2-carboxylate
| Molecular Formula | C16H12N2O4S |
|---|---|
| Molecular Weight | 328.05 g/mol |
| LogP | 2.78598 |
| Topological Polar Surface Area | 99.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.0518 |
| Heavy Atoms | 23 |
| Complexity | 800.2329 |
Chemical Identifiers
| CAS Number | 1025666-72-1 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)NC(=O)/C(=C/C2=CC=C(C=C2)O)/C#N |
Product Overview
C16H12N2O4S (CAS 1025666-72-1), with molecular formula C16H12N2O4S and molecular weight 328.05 g/mol. IUPAC: methyl 3-[[(E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoyl]amino]thiophene-2-carboxylate.
Chemical Property Profile of C16H12N2O4S
Property Insights of C16H12N2O4S
The XLogP value of 2.78598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H12N2O4S. The TPSA of 99.42 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H12N2O4S. Following Lipinski's Rule of Five, C16H12N2O4S has 2 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 C16H12N2O4S?
The CAS number of C16H12N2O4S is 1025666-72-1.
What is the molecular formula of C16H12N2O4S?
The molecular formula of C16H12N2O4S is C16H12N2O4S.
What is the molecular weight of C16H12N2O4S?
The molecular weight of C16H12N2O4S is 328.05 g/mol.
Where can I buy C16H12N2O4S?
You can request a quote for C16H12N2O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H12N2O4S?
Yes, KEHONG BIO provides custom synthesis services for C16H12N2O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.