ChemDiv1_005306
TL;DR: ChemDiv1_005306 (CAS 333307-83-8) is a chemical compound with molecular formula C30H30N2O4 and molecular weight 482.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-9-(2-ethoxyphenyl)-6-(4-methoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_005306, 10-Acetyl-3-(2-ethoxyphenyl)-11-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one, 5-acetyl-9-(2-ethoxyphenyl)-6-(4-methoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C30H30N2O4 |
|---|---|
| Molecular Weight | 482.22 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.22055 |
| Heavy Atoms | 36 |
| Complexity | 833.0 |
Chemical Identifiers
| CAS Number | 333307-83-8 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C)C5=CC=C(C=C5)OC)C(=O)C2 |
| InChIKey | MYNXSGUKFHALKI-UHFFFAOYSA-N |
Product Overview
ChemDiv1_005306 (CAS 333307-83-8), with molecular formula C30H30N2O4 and molecular weight 482.22 g/mol. IUPAC: 5-acetyl-9-(2-ethoxyphenyl)-6-(4-methoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_005306
Property Insights of ChemDiv1_005306
The XLogP value of 4.5 indicates that ChemDiv1_005306 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005306. Following Lipinski's Rule of Five, ChemDiv1_005306 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_005306?
The CAS number of ChemDiv1_005306 is 333307-83-8.
What is the molecular formula of ChemDiv1_005306?
The molecular formula of ChemDiv1_005306 is C30H30N2O4.
What is the molecular weight of ChemDiv1_005306?
The molecular weight of ChemDiv1_005306 is 482.22 g/mol.
Where can I buy ChemDiv1_005306?
You can request a quote for ChemDiv1_005306 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005306?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005306 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.