BAS 03058183
TL;DR: BAS 03058183 (CAS 333758-23-9) is a chemical compound with molecular formula C26H20F4N2O and molecular weight 452.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 03058183, AJ-292/40706612, 3-(4-fluorophenyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 9-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 3-(4-fluorophenyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4-trihydro-5H,10H,11H-be nzo[b]benzo[2,1-f]1,4-diazepin-1-one
| Molecular Formula | C26H20F4N2O |
|---|---|
| Molecular Weight | 452.15 g/mol |
| LogP | 6.824 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 452.15118 |
| Heavy Atoms | 33 |
| Complexity | 1230.3967 |
Chemical Identifiers
| CAS Number | 333758-23-9 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC=C(C=C4)C(F)(F)F)C5=CC=C(C=C5)F |
Product Overview
BAS 03058183 (CAS 333758-23-9), with molecular formula C26H20F4N2O and molecular weight 452.15 g/mol. IUPAC: 9-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 03058183
Property Insights of BAS 03058183
The XLogP value of 6.824 indicates that BAS 03058183 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, BAS 03058183 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 03058183 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 03058183?
The CAS number of BAS 03058183 is 333758-23-9.
What is the molecular formula of BAS 03058183?
The molecular formula of BAS 03058183 is C26H20F4N2O.
What is the molecular weight of BAS 03058183?
The molecular weight of BAS 03058183 is 452.15 g/mol.
Where can I buy BAS 03058183?
You can request a quote for BAS 03058183 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03058183?
Yes, KEHONG BIO provides custom synthesis services for BAS 03058183 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.