A3225/0136862
TL;DR: A3225/0136862 (CAS 599151-08-3) is a chemical compound with molecular formula C28H28N2O4 and molecular weight 456.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-hydroxy-3,5-dimethoxyphenyl)-9-(4-methylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: A3225/0136862, 11-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(4-hydroxy-3,5-dimethoxyphenyl)-9-(4-methylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 11-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methylphenyl)-2,3,4-trihydro-5H,10H,11 H-benzo[b]benzo[2,1-f]1,4-diazepin-1-one
| Molecular Formula | C28H28N2O4 |
|---|---|
| Molecular Weight | 456.20 g/mol |
| LogP | 5.69732 |
| Topological Polar Surface Area | 79.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.2049 |
| Heavy Atoms | 34 |
| Complexity | 1254.8136 |
Chemical Identifiers
| CAS Number | 599151-08-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C(=C5)OC)O)OC)C(=O)C2 |
Product Overview
A3225/0136862 (CAS 599151-08-3), with molecular formula C28H28N2O4 and molecular weight 456.20 g/mol. IUPAC: 6-(4-hydroxy-3,5-dimethoxyphenyl)-9-(4-methylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of A3225/0136862
Property Insights of A3225/0136862
The XLogP value of 5.69732 indicates that A3225/0136862 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.82 Ų falls within the moderate polarity range, balancing permeability and solubility for A3225/0136862. Following Lipinski's Rule of Five, A3225/0136862 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3225/0136862?
The CAS number of A3225/0136862 is 599151-08-3.
What is the molecular formula of A3225/0136862?
The molecular formula of A3225/0136862 is C28H28N2O4.
What is the molecular weight of A3225/0136862?
The molecular weight of A3225/0136862 is 456.20 g/mol.
Where can I buy A3225/0136862?
You can request a quote for A3225/0136862 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3225/0136862?
Yes, KEHONG BIO provides custom synthesis services for A3225/0136862 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.