ChemDiv1_010620
TL;DR: ChemDiv1_010620 (CAS 339580-13-1) is a chemical compound with molecular formula C17H18N2O3S and molecular weight 330.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-2-methyl-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_010620, AB00078964-01, ethyl 6-amino-5-cyano-2-methyl-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate, A0508/0023604, ethyl 6-amino-5-cyano-2-methyl-4-(4-(methylthio)phenyl)-4H-pyran-3-carboxylate
| Molecular Formula | C17H18N2O3S |
|---|---|
| Molecular Weight | 330.10 g/mol |
| LogP | 3.05328 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.10382 |
| Heavy Atoms | 23 |
| Complexity | 714.3492 |
Chemical Identifiers
| CAS Number | 339580-13-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)SC)C#N)N)C |
Product Overview
ChemDiv1_010620 (CAS 339580-13-1), with molecular formula C17H18N2O3S and molecular weight 330.10 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-methyl-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_010620
Property Insights of ChemDiv1_010620
The XLogP value of 3.05328 indicates that ChemDiv1_010620 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010620. Following Lipinski's Rule of Five, ChemDiv1_010620 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_010620?
The CAS number of ChemDiv1_010620 is 339580-13-1.
What is the molecular formula of ChemDiv1_010620?
The molecular formula of ChemDiv1_010620 is C17H18N2O3S.
What is the molecular weight of ChemDiv1_010620?
The molecular weight of ChemDiv1_010620 is 330.10 g/mol.
Where can I buy ChemDiv1_010620?
You can request a quote for ChemDiv1_010620 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010620?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010620 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.