AB00091204-01
TL;DR: AB00091204-01 (CAS 353774-65-9) is a chemical compound with molecular formula C23H20ClF3N2O2 and molecular weight 448.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chlorophenyl)-9,9-dimethyl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: AB00091204-01, 11-(4-chlorophenyl)-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(4-chlorophenyl)-9,9-dimethyl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one, 1-[11-(4-chlorophenyl)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone, 11-(4-chlorophenyl)-3,3-dimethyl-10-(2,2,2-trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C23H20ClF3N2O2 |
|---|---|
| Molecular Weight | 448.12 g/mol |
| LogP | 6.0453 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 448.11655 |
| Heavy Atoms | 31 |
| Complexity | 1090.7456 |
Chemical Identifiers
| CAS Number | 353774-65-9 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C(F)(F)F)C4=CC=C(C=C4)Cl)C(=O)C1)C |
Product Overview
AB00091204-01 (CAS 353774-65-9), with molecular formula C23H20ClF3N2O2 and molecular weight 448.12 g/mol. IUPAC: 6-(4-chlorophenyl)-9,9-dimethyl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of AB00091204-01
Property Insights of AB00091204-01
The XLogP value of 6.0453 indicates that AB00091204-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, AB00091204-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00091204-01 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 AB00091204-01?
The CAS number of AB00091204-01 is 353774-65-9.
What is the molecular formula of AB00091204-01?
The molecular formula of AB00091204-01 is C23H20ClF3N2O2.
What is the molecular weight of AB00091204-01?
The molecular weight of AB00091204-01 is 448.12 g/mol.
Where can I buy AB00091204-01?
You can request a quote for AB00091204-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00091204-01?
Yes, KEHONG BIO provides custom synthesis services for AB00091204-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.