ChemDiv1_006042
TL;DR: ChemDiv1_006042 (CAS 297159-02-5) is a chemical compound with molecular formula C30H26N2O5 and molecular weight 494.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3,4-dimethoxyphenyl)-6-(4-oxochromen-3-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_006042, MixCom6_002382, BAS 02170355, BIM-0047633.P001, 3-(3,4-dimethoxyphenyl)-11-(4-oxo-4H-chromen-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C30H26N2O5 |
|---|---|
| Molecular Weight | 494.18 g/mol |
| LogP | 5.7897 |
| Topological Polar Surface Area | 89.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 494.18417 |
| Heavy Atoms | 37 |
| Complexity | 1620.1139 |
Chemical Identifiers
| CAS Number | 297159-02-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=COC6=CC=CC=C6C5=O)C(=O)C2)OC |
Product Overview
ChemDiv1_006042 (CAS 297159-02-5), with molecular formula C30H26N2O5 and molecular weight 494.18 g/mol. IUPAC: 9-(3,4-dimethoxyphenyl)-6-(4-oxochromen-3-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_006042
Property Insights of ChemDiv1_006042
The XLogP value of 5.7897 indicates that ChemDiv1_006042 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006042. Following Lipinski's Rule of Five, ChemDiv1_006042 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_006042?
The CAS number of ChemDiv1_006042 is 297159-02-5.
What is the molecular formula of ChemDiv1_006042?
The molecular formula of ChemDiv1_006042 is C30H26N2O5.
What is the molecular weight of ChemDiv1_006042?
The molecular weight of ChemDiv1_006042 is 494.18 g/mol.
Where can I buy ChemDiv1_006042?
You can request a quote for ChemDiv1_006042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006042?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.