BAS 12534556
TL;DR: BAS 12534556 (CAS 876668-13-2) is a chemical compound with molecular formula C25H22FN3O3 and molecular weight 431.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
Also Known As: BAS 12534556, 8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one, 8-(3,4-DIMETHOXYPHENYL)-3-(4-FLUOROPHENYL)-2-METHYL-6H,7H,8H,9H-PYRAZOLO[1,5-A]QUINAZOLIN-6-ONE, 8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-7,8,9,10-tetrahydropyrazol o[1,5-a]quinazolin-6-one, 8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
| Molecular Formula | C25H22FN3O3 |
|---|---|
| Molecular Weight | 431.16 g/mol |
| LogP | 4.77372 |
| Topological Polar Surface Area | 65.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.16452 |
| Heavy Atoms | 32 |
| Complexity | 1345.0537 |
Chemical Identifiers
| CAS Number | 876668-13-2 |
|---|---|
| SMILES | CC1=NN2C3=C(C=NC2=C1C4=CC=C(C=C4)F)C(=O)CC(C3)C5=CC(=C(C=C5)OC)OC |
Product Overview
BAS 12534556 (CAS 876668-13-2), with molecular formula C25H22FN3O3 and molecular weight 431.16 g/mol. IUPAC: 8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.
Chemical Property Profile of BAS 12534556
Property Insights of BAS 12534556
The XLogP value of 4.77372 indicates that BAS 12534556 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.72 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12534556. Following Lipinski's Rule of Five, BAS 12534556 has 0 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 12534556?
The CAS number of BAS 12534556 is 876668-13-2.
What is the molecular formula of BAS 12534556?
The molecular formula of BAS 12534556 is C25H22FN3O3.
What is the molecular weight of BAS 12534556?
The molecular weight of BAS 12534556 is 431.16 g/mol.
Where can I buy BAS 12534556?
You can request a quote for BAS 12534556 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12534556?
Yes, KEHONG BIO provides custom synthesis services for BAS 12534556 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.