ChemDiv1_003115
TL;DR: ChemDiv1_003115 (CAS 298686-02-9) is a chemical compound with molecular formula C28H27ClN2O4 and molecular weight 490.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-chlorophenyl)-6-(3,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_003115, BAS 01404229, BIM-0039724.P001, A2131/0089486, 3-(4-chlorophenyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C28H27ClN2O4 |
|---|---|
| Molecular Weight | 490.17 g/mol |
| LogP | 6.3453 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.16592 |
| Heavy Atoms | 35 |
| Complexity | 1277.5594 |
Chemical Identifiers
| CAS Number | 298686-02-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC5=CC=CC=C5N2 |
Product Overview
ChemDiv1_003115 (CAS 298686-02-9), with molecular formula C28H27ClN2O4 and molecular weight 490.17 g/mol. IUPAC: 9-(4-chlorophenyl)-6-(3,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_003115
Property Insights of ChemDiv1_003115
The XLogP value of 6.3453 indicates that ChemDiv1_003115 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_003115. Following Lipinski's Rule of Five, ChemDiv1_003115 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_003115?
The CAS number of ChemDiv1_003115 is 298686-02-9.
What is the molecular formula of ChemDiv1_003115?
The molecular formula of ChemDiv1_003115 is C28H27ClN2O4.
What is the molecular weight of ChemDiv1_003115?
The molecular weight of ChemDiv1_003115 is 490.17 g/mol.
Where can I buy ChemDiv1_003115?
You can request a quote for ChemDiv1_003115 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003115?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003115 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.