BAS 12534426
TL;DR: BAS 12534426 (CAS 876667-89-9) is a chemical compound with molecular formula C20H17FN2O and molecular weight 320.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-fluorophenyl)-6-methyl-5,8,9,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 12534426, 3-(4-fluorophenyl)-11-methyl-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, AB01292482-01, 3-(4-fluorophenyl)-11-methyl-2,3,4-trihydro-5H-benzo[b]benzo[2,1-f]1,4-diazepi n-1-one, 3-(4-fluorophenyl)-11-methyl-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
| Molecular Formula | C20H17FN2O |
|---|---|
| Molecular Weight | 320.13 g/mol |
| LogP | 4.7444 |
| Topological Polar Surface Area | 41.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.13248 |
| Heavy Atoms | 24 |
| Complexity | 880.7668 |
Chemical Identifiers
| CAS Number | 876667-89-9 |
|---|---|
| SMILES | CC1=C2C(=NC3=CC=CC=C3N1)CC(CC2=O)C4=CC=C(C=C4)F |
Product Overview
BAS 12534426 (CAS 876667-89-9), with molecular formula C20H17FN2O and molecular weight 320.13 g/mol. IUPAC: 9-(4-fluorophenyl)-6-methyl-5,8,9,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 12534426
Property Insights of BAS 12534426
The XLogP value of 4.7444 indicates that BAS 12534426 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.46 Ų, BAS 12534426 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 12534426 has 1 hydrogen bond donor(s) and 3 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 12534426?
The CAS number of BAS 12534426 is 876667-89-9.
What is the molecular formula of BAS 12534426?
The molecular formula of BAS 12534426 is C20H17FN2O.
What is the molecular weight of BAS 12534426?
The molecular weight of BAS 12534426 is 320.13 g/mol.
Where can I buy BAS 12534426?
You can request a quote for BAS 12534426 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12534426?
Yes, KEHONG BIO provides custom synthesis services for BAS 12534426 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.