BAS 12534045
TL;DR: BAS 12534045 (CAS 713091-31-7) is a chemical compound with molecular formula C23H18FN5O and molecular weight 399.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-fluorophenyl)-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
Also Known As: BAS 12534045, 7-(4-fluorophenyl)-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydroquinazolin-5(6H)-one, 7-(4-fluorophenyl)-2-((4-methylquinazolin-2-yl)amino)-7,8-dihydroquinazolin-5(6H)-one, 7-(4-fluorophenyl)-2-[(4-methylquinazolin-2-yl)amino]-6,7,8-trihydroquinazolin -5-one, 7-(4-fluorophenyl)-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
| Molecular Formula | C23H18FN5O |
|---|---|
| Molecular Weight | 399.15 g/mol |
| LogP | 4.52362 |
| Topological Polar Surface Area | 80.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.14954 |
| Heavy Atoms | 30 |
| Complexity | 1272.5781 |
Chemical Identifiers
| CAS Number | 713091-31-7 |
|---|---|
| SMILES | CC1=NC(=NC2=CC=CC=C12)NC3=NC=C4C(=N3)CC(CC4=O)C5=CC=C(C=C5)F |
Product Overview
BAS 12534045 (CAS 713091-31-7), with molecular formula C23H18FN5O and molecular weight 399.15 g/mol. IUPAC: 7-(4-fluorophenyl)-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one.
Chemical Property Profile of BAS 12534045
Property Insights of BAS 12534045
The XLogP value of 4.52362 indicates that BAS 12534045 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.66 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12534045. Following Lipinski's Rule of Five, BAS 12534045 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 12534045?
The CAS number of BAS 12534045 is 713091-31-7.
What is the molecular formula of BAS 12534045?
The molecular formula of BAS 12534045 is C23H18FN5O.
What is the molecular weight of BAS 12534045?
The molecular weight of BAS 12534045 is 399.15 g/mol.
Where can I buy BAS 12534045?
You can request a quote for BAS 12534045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12534045?
Yes, KEHONG BIO provides custom synthesis services for BAS 12534045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.