BAS 12814396
TL;DR: BAS 12814396 (CAS 878413-93-5) is a chemical compound with molecular formula C15H15ClN2O4 and molecular weight 322.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(4-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
Also Known As: BAS 12814396, AB01291319-01, methyl 4-[(4-chlorophenyl)carbamoyl]-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate, A4094/0174586, methyl 4-[(4-chlorophenyl)carbamoyl]-6-hydroxy-2-methyl-4,5-dihydropyridine-3-carboxylate
| Molecular Formula | C15H15ClN2O4 |
|---|---|
| Molecular Weight | 322.07 g/mol |
| LogP | 1.8616 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.07202 |
| Heavy Atoms | 22 |
| Complexity | 652.0112 |
Chemical Identifiers
| CAS Number | 878413-93-5 |
|---|---|
| SMILES | CC1=C(C(CC(=O)N1)C(=O)NC2=CC=C(C=C2)Cl)C(=O)OC |
Product Overview
BAS 12814396 (CAS 878413-93-5), with molecular formula C15H15ClN2O4 and molecular weight 322.07 g/mol. IUPAC: methyl 4-[(4-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
Chemical Property Profile of BAS 12814396
Property Insights of BAS 12814396
The XLogP value of 1.8616 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12814396. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12814396. Following Lipinski's Rule of Five, BAS 12814396 has 2 hydrogen bond donor(s) and 4 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 12814396?
The CAS number of BAS 12814396 is 878413-93-5.
What is the molecular formula of BAS 12814396?
The molecular formula of BAS 12814396 is C15H15ClN2O4.
What is the molecular weight of BAS 12814396?
The molecular weight of BAS 12814396 is 322.07 g/mol.
Where can I buy BAS 12814396?
You can request a quote for BAS 12814396 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12814396?
Yes, KEHONG BIO provides custom synthesis services for BAS 12814396 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.