BAS 11178331
TL;DR: BAS 11178331 (CAS 865612-56-2) is a chemical compound with molecular formula C17H17ClN2O4 and molecular weight 348.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Also Known As: BAS 11178331, 2-methoxyethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate, F1524-0344, 2-methoxyethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxyl ate
| Molecular Formula | C17H17ClN2O4 |
|---|---|
| Molecular Weight | 348.09 g/mol |
| LogP | 2.61128 |
| Topological Polar Surface Area | 94.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.08768 |
| Heavy Atoms | 24 |
| Complexity | 731.9526 |
Chemical Identifiers
| CAS Number | 865612-56-2 |
|---|---|
| SMILES | CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)Cl)C(=O)OCCOC |
Product Overview
BAS 11178331 (CAS 865612-56-2), with molecular formula C17H17ClN2O4 and molecular weight 348.09 g/mol. IUPAC: 2-methoxyethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate.
Chemical Property Profile of BAS 11178331
Property Insights of BAS 11178331
The XLogP value of 2.61128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11178331. The TPSA of 94.57 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11178331. Following Lipinski's Rule of Five, BAS 11178331 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 BAS 11178331?
The CAS number of BAS 11178331 is 865612-56-2.
What is the molecular formula of BAS 11178331?
The molecular formula of BAS 11178331 is C17H17ClN2O4.
What is the molecular weight of BAS 11178331?
The molecular weight of BAS 11178331 is 348.09 g/mol.
Where can I buy BAS 11178331?
You can request a quote for BAS 11178331 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11178331?
Yes, KEHONG BIO provides custom synthesis services for BAS 11178331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.