RefChem:1057750
TL;DR: RefChem:1057750 (CAS 58536-13-3) is a chemical compound with molecular formula C23H26N6 and molecular weight 386.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-cyano-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-7-yl)methyl]-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile
Also Known As: 1H-1,5-Benzodiazepine-2-carbonitrile, 7,7'-methylenebis(2,3,4,5-tetrahydro-4-methyl-, 7,7'-Methylenebis(2,3,4,5-tetrahydro-4-methyl-1H-1,5-benzodiazepine-2-carbonitrile), 7,7'-Methylenebis(4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile), 7-[(2-cyano-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-7-yl)methyl]-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile, RefChem:1057750
| Molecular Formula | C23H26N6 |
|---|---|
| Molecular Weight | 386.22 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 386.2219 |
| Heavy Atoms | 29 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 58536-13-3 |
|---|---|
| SMILES | CC1CC(NC2=C(N1)C=C(C=C2)CC3=CC4=C(C=C3)NC(CC(N4)C)C#N)C#N |
| InChIKey | COVCTIVNMXBZOA-UHFFFAOYSA-N |
Product Overview
RefChem:1057750 (CAS 58536-13-3), with molecular formula C23H26N6 and molecular weight 386.22 g/mol. IUPAC: 7-[(2-cyano-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-7-yl)methyl]-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile.
Chemical Property Profile of RefChem:1057750
Property Insights of RefChem:1057750
The XLogP value of 4.6 indicates that RefChem:1057750 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1057750. Following Lipinski's Rule of Five, RefChem:1057750 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1057750?
The CAS number of RefChem:1057750 is 58536-13-3.
What is the molecular formula of RefChem:1057750?
The molecular formula of RefChem:1057750 is C23H26N6.
What is the molecular weight of RefChem:1057750?
The molecular weight of RefChem:1057750 is 386.22 g/mol.
Where can I buy RefChem:1057750?
You can request a quote for RefChem:1057750 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057750?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057750 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.