RefChem:236139
TL;DR: RefChem:236139 (CAS 354538-73-1) is a chemical compound with molecular formula C28H24ClN3O4 and molecular weight 501.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chlorophenyl)-9-(3-nitrophenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_005484, 6-(4-chlorophenyl)-9-(3-nitrophenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one, A2615/0111216, 11-(4-Chlorophenyl)-2,3,4,5,10,11-hexahydro-3-(3-nitrophenyl)-10-(1-oxopropyl)-1H-dibenzo[b,e][1,4]diazepin-1-one, 11-(4-chlorophenyl)-3-(3-nitrophenyl)-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C28H24ClN3O4 |
|---|---|
| Molecular Weight | 501.15 g/mol |
| LogP | 6.5588 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 501.14554 |
| Heavy Atoms | 36 |
| Complexity | 1399.9136 |
Chemical Identifiers
| CAS Number | 354538-73-1 |
|---|---|
| SMILES | CCC(=O)N1C(C2=C(CC(CC2=O)C3=CC(=CC=C3)[N+](=O)[O-])NC4=CC=CC=C41)C5=CC=C(C=C5)Cl |
Product Overview
RefChem:236139 (CAS 354538-73-1), with molecular formula C28H24ClN3O4 and molecular weight 501.15 g/mol. IUPAC: 6-(4-chlorophenyl)-9-(3-nitrophenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of RefChem:236139
Property Insights of RefChem:236139
The XLogP value of 6.5588 indicates that RefChem:236139 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.55 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:236139. Following Lipinski's Rule of Five, RefChem:236139 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:236139?
The CAS number of RefChem:236139 is 354538-73-1.
What is the molecular formula of RefChem:236139?
The molecular formula of RefChem:236139 is C28H24ClN3O4.
What is the molecular weight of RefChem:236139?
The molecular weight of RefChem:236139 is 501.15 g/mol.
Where can I buy RefChem:236139?
You can request a quote for RefChem:236139 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:236139?
Yes, KEHONG BIO provides custom synthesis services for RefChem:236139 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.