ChemDiv1_010681
TL;DR: ChemDiv1_010681 (CAS 339583-67-4) is a chemical compound with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-amino-5-cyano-2-methyl-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_010681, BAS 07415417, A0565/0026102, methyl 6-amino-5-cyano-2-methyl-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate, 6-Amino-5-cyano-2-methyl-4-(4-methylsulfanyl-phenyl)-4H-pyran-3-carboxylic acid
| Molecular Formula | C16H16N2O3S |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 2.66318 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.08817 |
| Heavy Atoms | 22 |
| Complexity | 699.09625 |
Chemical Identifiers
| CAS Number | 339583-67-4 |
|---|---|
| SMILES | CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)SC)C(=O)OC |
Product Overview
ChemDiv1_010681 (CAS 339583-67-4), with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol. IUPAC: methyl 6-amino-5-cyano-2-methyl-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_010681
Property Insights of ChemDiv1_010681
The XLogP value of 2.66318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_010681. The TPSA of 85.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010681. Following Lipinski's Rule of Five, ChemDiv1_010681 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_010681?
The CAS number of ChemDiv1_010681 is 339583-67-4.
What is the molecular formula of ChemDiv1_010681?
The molecular formula of ChemDiv1_010681 is C16H16N2O3S.
What is the molecular weight of ChemDiv1_010681?
The molecular weight of ChemDiv1_010681 is 316.09 g/mol.
Where can I buy ChemDiv1_010681?
You can request a quote for ChemDiv1_010681 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010681?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010681 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.