RefChem:1057749
TL;DR: RefChem:1057749 (CAS 87896-40-0) is a chemical compound with molecular formula C33H28N6O and molecular weight 524.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-cyano-4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-carbonyl)-4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile
Also Known As: 1H-1,5-Benzodiazepine-2-carbonitrile, 7,7'-carbonylbis(2,3,4,5-tetrahydro-4-phenyl-, 7,7'-Carbonylbis(2,3,4,5-tetrahydro-4-phenyl-1H-1,5-benzodiazepine-2-carbonitrile), 1H-1,5-BENZODIAZEPINE-2-CARBONITRILE, 7,7'-CARBONYLBIS(2,3,4,5-TETRAHYDRO-4-PHEN, 7,7'-carbonylbis(4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile), 7-(2-cyano-4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-carbonyl)-4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile
| Molecular Formula | C33H28N6O |
|---|---|
| Molecular Weight | 524.23 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 524.2325 |
| Heavy Atoms | 40 |
| Complexity | 894.0 |
Chemical Identifiers
| CAS Number | 87896-40-0 |
|---|---|
| SMILES | C1C(NC2=C(C=C(C=C2)C(=O)C3=CC4=C(C=C3)NC(CC(N4)C5=CC=CC=C5)C#N)NC1C6=CC=CC=C6)C#N |
| InChIKey | DLDMTAZQYNDEHN-UHFFFAOYSA-N |
Product Overview
RefChem:1057749 (CAS 87896-40-0), with molecular formula C33H28N6O and molecular weight 524.23 g/mol. IUPAC: 7-(2-cyano-4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-carbonyl)-4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile.
Chemical Property Profile of RefChem:1057749
Property Insights of RefChem:1057749
The XLogP value of 6.2 indicates that RefChem:1057749 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1057749. Following Lipinski's Rule of Five, RefChem:1057749 has 4 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 RefChem:1057749?
The CAS number of RefChem:1057749 is 87896-40-0.
What is the molecular formula of RefChem:1057749?
The molecular formula of RefChem:1057749 is C33H28N6O.
What is the molecular weight of RefChem:1057749?
The molecular weight of RefChem:1057749 is 524.23 g/mol.
Where can I buy RefChem:1057749?
You can request a quote for RefChem:1057749 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057749?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057749 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.