AB00093189-01
TL;DR: AB00093189-01 (CAS 354543-98-9) is a chemical compound with molecular formula C23H23BrN2O2 and molecular weight 438.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-6-(4-bromophenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: AB00093189-01, 10-acetyl-11-(4-bromophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 5-acetyl-6-(4-bromophenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C23H23BrN2O2 |
|---|---|
| Molecular Weight | 438.09 g/mol |
| LogP | 5.612 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 438.0943 |
| Heavy Atoms | 28 |
| Complexity | 991.9169 |
Chemical Identifiers
| CAS Number | 354543-98-9 |
|---|---|
| SMILES | CC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(C=C4)Br |
Product Overview
AB00093189-01 (CAS 354543-98-9), with molecular formula C23H23BrN2O2 and molecular weight 438.09 g/mol. IUPAC: 5-acetyl-6-(4-bromophenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of AB00093189-01
Property Insights of AB00093189-01
The XLogP value of 5.612 indicates that AB00093189-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, AB00093189-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00093189-01 has 1 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 AB00093189-01?
The CAS number of AB00093189-01 is 354543-98-9.
What is the molecular formula of AB00093189-01?
The molecular formula of AB00093189-01 is C23H23BrN2O2.
What is the molecular weight of AB00093189-01?
The molecular weight of AB00093189-01 is 438.09 g/mol.
Where can I buy AB00093189-01?
You can request a quote for AB00093189-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00093189-01?
Yes, KEHONG BIO provides custom synthesis services for AB00093189-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.