AJ-292/40706531
TL;DR: AJ-292/40706531 (CAS 404849-07-6) is a chemical compound with molecular formula C30H30N2O3 and molecular weight 466.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-6-(4-hydroxy-3,5-dimethylphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: AJ-292/40706531, 2-benzoyl-6-(4-hydroxy-3,5-dimethylphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one, A2576/0109887, 7-benzoyl-11-(4-hydroxy-3,5-dimethylphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 11-(4-hydroxy-3,5-dimethylphenyl)-3,3-dimethyl-7-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C30H30N2O3 |
|---|---|
| Molecular Weight | 466.23 g/mol |
| LogP | 6.46194 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 466.22565 |
| Heavy Atoms | 35 |
| Complexity | 1362.9606 |
Chemical Identifiers
| CAS Number | 404849-07-6 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C)C2C3=C(CC(CC3=O)(C)C)NC4=C(N2)C=CC(=C4)C(=O)C5=CC=CC=C5 |
Product Overview
AJ-292/40706531 (CAS 404849-07-6), with molecular formula C30H30N2O3 and molecular weight 466.23 g/mol. IUPAC: 2-benzoyl-6-(4-hydroxy-3,5-dimethylphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of AJ-292/40706531
Property Insights of AJ-292/40706531
The XLogP value of 6.46194 indicates that AJ-292/40706531 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/40706531. Following Lipinski's Rule of Five, AJ-292/40706531 has 3 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 AJ-292/40706531?
The CAS number of AJ-292/40706531 is 404849-07-6.
What is the molecular formula of AJ-292/40706531?
The molecular formula of AJ-292/40706531 is C30H30N2O3.
What is the molecular weight of AJ-292/40706531?
The molecular weight of AJ-292/40706531 is 466.23 g/mol.
Where can I buy AJ-292/40706531?
You can request a quote for AJ-292/40706531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/40706531?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/40706531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.