ChemDiv1_003890
TL;DR: ChemDiv1_003890 (CAS 312698-28-5) is a chemical compound with molecular formula C29H24N2O4 and molecular weight 464.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-methoxyphenyl)-6-(4-oxochromen-3-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_003890, BAS 02170217, 3-(4-methoxyphenyl)-11-(4-oxo-4H-chromen-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 9-(4-methoxyphenyl)-6-(4-oxochromen-3-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 14-(4-methoxyphenyl)-10-(4-oxochromen-3-yl)-2,9-diazatricyclo[9.4.0.0(3),?]pentadeca-1(11),3,5,7-tetraen-12-one
| Molecular Formula | C29H24N2O4 |
|---|---|
| Molecular Weight | 464.17 g/mol |
| LogP | 5.7811 |
| Topological Polar Surface Area | 80.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 464.1736 |
| Heavy Atoms | 35 |
| Complexity | 1534.6172 |
Chemical Identifiers
| CAS Number | 312698-28-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=COC6=CC=CC=C6C5=O)C(=O)C2 |
Product Overview
ChemDiv1_003890 (CAS 312698-28-5), with molecular formula C29H24N2O4 and molecular weight 464.17 g/mol. IUPAC: 9-(4-methoxyphenyl)-6-(4-oxochromen-3-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_003890
Property Insights of ChemDiv1_003890
The XLogP value of 5.7811 indicates that ChemDiv1_003890 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.57 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003890. Following Lipinski's Rule of Five, ChemDiv1_003890 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_003890?
The CAS number of ChemDiv1_003890 is 312698-28-5.
What is the molecular formula of ChemDiv1_003890?
The molecular formula of ChemDiv1_003890 is C29H24N2O4.
What is the molecular weight of ChemDiv1_003890?
The molecular weight of ChemDiv1_003890 is 464.17 g/mol.
Where can I buy ChemDiv1_003890?
You can request a quote for ChemDiv1_003890 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003890?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003890 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.