ChemDiv1_007029
TL;DR: ChemDiv1_007029 (CAS 346714-98-5) is a chemical compound with molecular formula C26H31BrN2O4 and molecular weight 514.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-bromo-3,4,5-trimethoxyphenyl)-2,3,9,9-tetramethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_007029, A2470/0104899, 11-(2-bromo-3,4,5-trimethoxyphenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(2-bromo-3,4,5-trimethoxyphenyl)-2,3,9,9-tetramethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one, 11-(2-bromo-3,4,5-trimethoxyphenyl)-3,3,7,8-tetramethyl-2,3,4-trihydro-5H,10H, 11H-benzo[b]benzo[2,1-f]1,4-diazepin-1-one
| Molecular Formula | C26H31BrN2O4 |
|---|---|
| Molecular Weight | 514.15 g/mol |
| LogP | 6.31364 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 514.1467 |
| Heavy Atoms | 33 |
| Complexity | 1169.6123 |
Chemical Identifiers
| CAS Number | 346714-98-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=CC(=C(C(=C4Br)OC)OC)OC)C(=O)CC(C3)(C)C |
Product Overview
ChemDiv1_007029 (CAS 346714-98-5), with molecular formula C26H31BrN2O4 and molecular weight 514.15 g/mol. IUPAC: 6-(2-bromo-3,4,5-trimethoxyphenyl)-2,3,9,9-tetramethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_007029
Property Insights of ChemDiv1_007029
The XLogP value of 6.31364 indicates that ChemDiv1_007029 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007029. Following Lipinski's Rule of Five, ChemDiv1_007029 has 2 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_007029?
The CAS number of ChemDiv1_007029 is 346714-98-5.
What is the molecular formula of ChemDiv1_007029?
The molecular formula of ChemDiv1_007029 is C26H31BrN2O4.
What is the molecular weight of ChemDiv1_007029?
The molecular weight of ChemDiv1_007029 is 514.15 g/mol.
Where can I buy ChemDiv1_007029?
You can request a quote for ChemDiv1_007029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007029?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.