ChemDiv1_003839
TL;DR: ChemDiv1_003839 (CAS 353772-48-2) is a chemical compound with molecular formula C27H30N2O5 and molecular weight 462.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(5-acetyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-6-yl)-2-ethoxyphenyl] acetate
Also Known As: ChemDiv1_003839, 4-(10-acetyl-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)-2-ethoxyphenyl acetate, [4-(5-acetyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-6-yl)-2-ethoxyphenyl] acetate, 4-(10-acetyl-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)-2-ethoxyphenyl acetate
| Molecular Formula | C27H30N2O5 |
|---|---|
| Molecular Weight | 462.22 g/mol |
| LogP | 5.1735 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.21548 |
| Heavy Atoms | 34 |
| Complexity | 1197.2567 |
Chemical Identifiers
| CAS Number | 353772-48-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2C(=O)C)OC(=O)C |
Product Overview
ChemDiv1_003839 (CAS 353772-48-2), with molecular formula C27H30N2O5 and molecular weight 462.22 g/mol. IUPAC: [4-(5-acetyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-6-yl)-2-ethoxyphenyl] acetate.
Chemical Property Profile of ChemDiv1_003839
Property Insights of ChemDiv1_003839
The XLogP value of 5.1735 indicates that ChemDiv1_003839 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003839. Following Lipinski's Rule of Five, ChemDiv1_003839 has 1 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 ChemDiv1_003839?
The CAS number of ChemDiv1_003839 is 353772-48-2.
What is the molecular formula of ChemDiv1_003839?
The molecular formula of ChemDiv1_003839 is C27H30N2O5.
What is the molecular weight of ChemDiv1_003839?
The molecular weight of ChemDiv1_003839 is 462.22 g/mol.
Where can I buy ChemDiv1_003839?
You can request a quote for ChemDiv1_003839 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003839?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003839 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.