AB00093062-01
TL;DR: AB00093062-01 (CAS 312622-13-2) is a chemical compound with molecular formula C23H20F3N3O4 and molecular weight 459.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,9-dimethyl-6-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: AB00093062-01, 11-{3-nitrophenyl}-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 9,9-dimethyl-6-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one, 3,3-DIMETHYL-11-(3-NITROPHENYL)-10-(2,2,2-TRIFLUOROACETYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE, 2,2,2-trifluoro-1-[1-hydroxy-3,3-dimethyl-11-(3-nitrophenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone
| Molecular Formula | C23H20F3N3O4 |
|---|---|
| Molecular Weight | 459.14 g/mol |
| LogP | 5.3001 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 459.1406 |
| Heavy Atoms | 33 |
| Complexity | 1203.433 |
Chemical Identifiers
| CAS Number | 312622-13-2 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C(F)(F)F)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1)C |
Product Overview
AB00093062-01 (CAS 312622-13-2), with molecular formula C23H20F3N3O4 and molecular weight 459.14 g/mol. IUPAC: 9,9-dimethyl-6-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of AB00093062-01
Property Insights of AB00093062-01
The XLogP value of 5.3001 indicates that AB00093062-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.55 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00093062-01. Following Lipinski's Rule of Five, AB00093062-01 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00093062-01?
The CAS number of AB00093062-01 is 312622-13-2.
What is the molecular formula of AB00093062-01?
The molecular formula of AB00093062-01 is C23H20F3N3O4.
What is the molecular weight of AB00093062-01?
The molecular weight of AB00093062-01 is 459.14 g/mol.
Where can I buy AB00093062-01?
You can request a quote for AB00093062-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00093062-01?
Yes, KEHONG BIO provides custom synthesis services for AB00093062-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.