AB00100965-01
TL;DR: AB00100965-01 (CAS 423730-62-5) is a chemical compound with molecular formula C23H21F3N2O3 and molecular weight 430.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-hydroxyphenyl)-9,9-dimethyl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: AB00100965-01, 11-(3-hydroxyphenyl)-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(3-hydroxyphenyl)-9,9-dimethyl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one, 11-(3-HYDROXYPHENYL)-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 | C23H21F3N2O3 |
|---|---|
| Molecular Weight | 430.15 g/mol |
| LogP | 5.0975 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 430.15042 |
| Heavy Atoms | 31 |
| Complexity | 1105.2407 |
Chemical Identifiers
| CAS Number | 423730-62-5 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C(F)(F)F)C4=CC(=CC=C4)O)C(=O)C1)C |
Product Overview
AB00100965-01 (CAS 423730-62-5), with molecular formula C23H21F3N2O3 and molecular weight 430.15 g/mol. IUPAC: 6-(3-hydroxyphenyl)-9,9-dimethyl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of AB00100965-01
Property Insights of AB00100965-01
The XLogP value of 5.0975 indicates that AB00100965-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00100965-01. Following Lipinski's Rule of Five, AB00100965-01 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00100965-01?
The CAS number of AB00100965-01 is 423730-62-5.
What is the molecular formula of AB00100965-01?
The molecular formula of AB00100965-01 is C23H21F3N2O3.
What is the molecular weight of AB00100965-01?
The molecular weight of AB00100965-01 is 430.15 g/mol.
Where can I buy AB00100965-01?
You can request a quote for AB00100965-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00100965-01?
Yes, KEHONG BIO provides custom synthesis services for AB00100965-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.