ChemDiv1_004103
TL;DR: ChemDiv1_004103 (CAS 312696-34-7) is a chemical compound with molecular formula C29H30N2O5 and molecular weight 486.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-methoxyphenyl)-6-(2,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_004103, BAS 02170131, BIM-0002189.P001, 9-(4-methoxyphenyl)-6-(2,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 3-(4-methoxyphenyl)-11-(2,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C29H30N2O5 |
|---|---|
| Molecular Weight | 486.22 g/mol |
| LogP | 5.7005 |
| Topological Polar Surface Area | 78.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.21548 |
| Heavy Atoms | 36 |
| Complexity | 1315.7399 |
Chemical Identifiers
| CAS Number | 312696-34-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C=C5OC)OC)OC)C(=O)C2 |
Product Overview
ChemDiv1_004103 (CAS 312696-34-7), with molecular formula C29H30N2O5 and molecular weight 486.22 g/mol. IUPAC: 9-(4-methoxyphenyl)-6-(2,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_004103
Property Insights of ChemDiv1_004103
The XLogP value of 5.7005 indicates that ChemDiv1_004103 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_004103. Following Lipinski's Rule of Five, ChemDiv1_004103 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_004103?
The CAS number of ChemDiv1_004103 is 312696-34-7.
What is the molecular formula of ChemDiv1_004103?
The molecular formula of ChemDiv1_004103 is C29H30N2O5.
What is the molecular weight of ChemDiv1_004103?
The molecular weight of ChemDiv1_004103 is 486.22 g/mol.
Where can I buy ChemDiv1_004103?
You can request a quote for ChemDiv1_004103 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004103?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004103 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.