ChemDiv1_016096
TL;DR: ChemDiv1_016096 (CAS 347326-24-3) is a chemical compound with molecular formula C28H25BrN2O5 and molecular weight 548.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(6-bromo-1,3-benzodioxol-5-yl)-9-(3,4-dimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_016096, MixCom6_000256, 11-(6-bromo-1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, A2557/0108904, 6-(6-bromo-1,3-benzodioxol-5-yl)-9-(3,4-dimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C28H25BrN2O5 |
|---|---|
| Molecular Weight | 548.09 g/mol |
| LogP | 6.1745 |
| Topological Polar Surface Area | 78.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 548.09467 |
| Heavy Atoms | 36 |
| Complexity | 1402.6826 |
Chemical Identifiers
| CAS Number | 347326-24-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC6=C(C=C5Br)OCO6)C(=O)C2)OC |
Product Overview
ChemDiv1_016096 (CAS 347326-24-3), with molecular formula C28H25BrN2O5 and molecular weight 548.09 g/mol. IUPAC: 6-(6-bromo-1,3-benzodioxol-5-yl)-9-(3,4-dimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_016096
Property Insights of ChemDiv1_016096
The XLogP value of 6.1745 indicates that ChemDiv1_016096 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_016096. Following Lipinski's Rule of Five, ChemDiv1_016096 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_016096?
The CAS number of ChemDiv1_016096 is 347326-24-3.
What is the molecular formula of ChemDiv1_016096?
The molecular formula of ChemDiv1_016096 is C28H25BrN2O5.
What is the molecular weight of ChemDiv1_016096?
The molecular weight of ChemDiv1_016096 is 548.09 g/mol.
Where can I buy ChemDiv1_016096?
You can request a quote for ChemDiv1_016096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_016096?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_016096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.