BAS 12534493
TL;DR: BAS 12534493 (CAS 876668-00-7) is a chemical compound with molecular formula C16H14ClN3O3 and molecular weight 331.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(4-chlorophenyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate
Also Known As: BAS 12534493, A4008/0170889, methyl [3-(4-chlorophenyl)-7-hydroxy-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]acetate, methyl 2-[3-(4-chlorophenyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate, methyl [3-(4-chlorophenyl)-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl]acetate
| Molecular Formula | C16H14ClN3O3 |
|---|---|
| Molecular Weight | 331.07 g/mol |
| LogP | 2.36692 |
| Topological Polar Surface Area | 76.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.07236 |
| Heavy Atoms | 23 |
| Complexity | 941.5991 |
Chemical Identifiers
| CAS Number | 876668-00-7 |
|---|---|
| SMILES | CC1=C(C2=NC(=CC(=O)N2N1)CC(=O)OC)C3=CC=C(C=C3)Cl |
Product Overview
BAS 12534493 (CAS 876668-00-7), with molecular formula C16H14ClN3O3 and molecular weight 331.07 g/mol. IUPAC: methyl 2-[3-(4-chlorophenyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate.
Chemical Property Profile of BAS 12534493
Property Insights of BAS 12534493
The XLogP value of 2.36692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12534493. The TPSA of 76.46 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12534493. Following Lipinski's Rule of Five, BAS 12534493 has 1 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 12534493?
The CAS number of BAS 12534493 is 876668-00-7.
What is the molecular formula of BAS 12534493?
The molecular formula of BAS 12534493 is C16H14ClN3O3.
What is the molecular weight of BAS 12534493?
The molecular weight of BAS 12534493 is 331.07 g/mol.
Where can I buy BAS 12534493?
You can request a quote for BAS 12534493 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12534493?
Yes, KEHONG BIO provides custom synthesis services for BAS 12534493 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.