ChemDiv1_003711
TL;DR: ChemDiv1_003711 (CAS 406914-89-4) is a chemical compound with molecular formula C30H28N2O4 and molecular weight 480.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(5-benzoyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-6-yl)phenyl] acetate
Also Known As: ChemDiv1_003711, 3-(10-benzoyl-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)phenyl acetate, 3-[3,3-dimethyl-1-oxo-10-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate, [3-(5-benzoyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-6-yl)phenyl] acetate, 3-[1-hydroxy-3,3-dimethyl-10-(phenylcarbonyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate
| Molecular Formula | C30H28N2O4 |
|---|---|
| Molecular Weight | 480.20 g/mol |
| LogP | 6.0687 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 480.2049 |
| Heavy Atoms | 36 |
| Complexity | 1390.8225 |
Chemical Identifiers
| CAS Number | 406914-89-4 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2C(=O)C5=CC=CC=C5 |
Product Overview
ChemDiv1_003711 (CAS 406914-89-4), with molecular formula C30H28N2O4 and molecular weight 480.20 g/mol. IUPAC: [3-(5-benzoyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-6-yl)phenyl] acetate.
Chemical Property Profile of ChemDiv1_003711
Property Insights of ChemDiv1_003711
The XLogP value of 6.0687 indicates that ChemDiv1_003711 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003711. Following Lipinski's Rule of Five, ChemDiv1_003711 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 ChemDiv1_003711?
The CAS number of ChemDiv1_003711 is 406914-89-4.
What is the molecular formula of ChemDiv1_003711?
The molecular formula of ChemDiv1_003711 is C30H28N2O4.
What is the molecular weight of ChemDiv1_003711?
The molecular weight of ChemDiv1_003711 is 480.20 g/mol.
Where can I buy ChemDiv1_003711?
You can request a quote for ChemDiv1_003711 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003711?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003711 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.