BAS 07416690
TL;DR: BAS 07416690 (CAS 313379-37-2) is a chemical compound with molecular formula C17H18N2O5S and molecular weight 362.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-thiophen-2-yl-4H-pyran-3-carboxylate
Also Known As: BAS 07416690, ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(thiophen-2-yl)-4H-pyran-3-carboxylate, A1247/0057091, ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-thienyl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-thiophen-2-yl-4H-pyran-3-carboxylate
| Molecular Formula | C17H18N2O5S |
|---|---|
| Molecular Weight | 362.09 g/mol |
| LogP | 2.32618 |
| Topological Polar Surface Area | 111.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.09363 |
| Heavy Atoms | 25 |
| Complexity | 758.5012 |
Chemical Identifiers
| CAS Number | 313379-37-2 |
|---|---|
| SMILES | CCOC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=CC=CS2)C(=O)OCC |
Product Overview
BAS 07416690 (CAS 313379-37-2), with molecular formula C17H18N2O5S and molecular weight 362.09 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-thiophen-2-yl-4H-pyran-3-carboxylate.
Chemical Property Profile of BAS 07416690
Property Insights of BAS 07416690
The XLogP value of 2.32618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07416690. The TPSA of 111.64 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07416690. Following Lipinski's Rule of Five, BAS 07416690 has 1 hydrogen bond donor(s) and 8 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 07416690?
The CAS number of BAS 07416690 is 313379-37-2.
What is the molecular formula of BAS 07416690?
The molecular formula of BAS 07416690 is C17H18N2O5S.
What is the molecular weight of BAS 07416690?
The molecular weight of BAS 07416690 is 362.09 g/mol.
Where can I buy BAS 07416690?
You can request a quote for BAS 07416690 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07416690?
Yes, KEHONG BIO provides custom synthesis services for BAS 07416690 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.