BAS 01251367
TL;DR: BAS 01251367 (CAS 329074-13-7) is a chemical compound with molecular formula C20H17ClN2O5 and molecular weight 400.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(4-chloro-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
Also Known As: BAS 01251367, benzyl 4-(4-chloro-3-nitrophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate, benzyl 4-(4-chloro-3-nitrophenyl)-2-methyl-6-oxo-4,5-dihydro-1H-pyridine-3-carboxylate, benzyl 4-(4-chloro-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate, phenylmethyl 4-(4-chloro-3-nitrophenyl)-2-methyl-6-oxo-1,4,5-trihydropyridine- 3-carboxylate
| Molecular Formula | C20H17ClN2O5 |
|---|---|
| Molecular Weight | 400.08 g/mol |
| LogP | 3.8691 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.0826 |
| Heavy Atoms | 28 |
| Complexity | 971.8163 |
Chemical Identifiers
| CAS Number | 329074-13-7 |
|---|---|
| SMILES | CC1=C(C(CC(=O)N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3 |
Product Overview
BAS 01251367 (CAS 329074-13-7), with molecular formula C20H17ClN2O5 and molecular weight 400.08 g/mol. IUPAC: benzyl 4-(4-chloro-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
Chemical Property Profile of BAS 01251367
Property Insights of BAS 01251367
The XLogP value of 3.8691 indicates that BAS 01251367 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01251367. Following Lipinski's Rule of Five, BAS 01251367 has 1 hydrogen bond donor(s) and 5 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 01251367?
The CAS number of BAS 01251367 is 329074-13-7.
What is the molecular formula of BAS 01251367?
The molecular formula of BAS 01251367 is C20H17ClN2O5.
What is the molecular weight of BAS 01251367?
The molecular weight of BAS 01251367 is 400.08 g/mol.
Where can I buy BAS 01251367?
You can request a quote for BAS 01251367 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01251367?
Yes, KEHONG BIO provides custom synthesis services for BAS 01251367 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.