BAS 07416689
TL;DR: BAS 07416689 (CAS 313379-41-8) is a chemical compound with molecular formula C19H19ClN2O5 and molecular weight 390.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Also Known As: BAS 07416689, ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylate, AB00095416-01, AN-512/12594124, ethyl 2-[6-amino-4-(2-chlorophenyl)-5-cyano-3-(ethoxycarbonyl)-4H-pyran-2-yl]a cetate
| Molecular Formula | C19H19ClN2O5 |
|---|---|
| Molecular Weight | 390.10 g/mol |
| LogP | 2.91808 |
| Topological Polar Surface Area | 111.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.09824 |
| Heavy Atoms | 27 |
| Complexity | 853.9011 |
Chemical Identifiers
| CAS Number | 313379-41-8 |
|---|---|
| SMILES | CCOC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=CC=CC=C2Cl)C(=O)OCC |
Product Overview
BAS 07416689 (CAS 313379-41-8), with molecular formula C19H19ClN2O5 and molecular weight 390.10 g/mol. IUPAC: ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of BAS 07416689
Property Insights of BAS 07416689
The XLogP value of 2.91808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07416689. The TPSA of 111.64 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07416689. Following Lipinski's Rule of Five, BAS 07416689 has 1 hydrogen bond donor(s) and 7 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 BAS 07416689?
The CAS number of BAS 07416689 is 313379-41-8.
What is the molecular formula of BAS 07416689?
The molecular formula of BAS 07416689 is C19H19ClN2O5.
What is the molecular weight of BAS 07416689?
The molecular weight of BAS 07416689 is 390.10 g/mol.
Where can I buy BAS 07416689?
You can request a quote for BAS 07416689 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07416689?
Yes, KEHONG BIO provides custom synthesis services for BAS 07416689 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.