Benzonitrile, 3,3'-methylenebis[6-amino-
TL;DR: Benzonitrile, 3,3'-methylenebis[6-amino- (CAS 61381-99-5) is a chemical compound with molecular formula C15H12N4 and molecular weight 248.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-[(4-amino-3-cyanophenyl)methyl]benzonitrile
Also Known As: TimTec1_000972, Benzonitrile, 3,3'-methylenebis[6-amino-, 3,3'-Methylenebis(6-aminobenzonitrile), 3,3'-dicyano-4,4'-diamino-diphenylmethane, 2-amino-5-[(4-amino-3-cyanophenyl)methyl]benzonitrile
| Molecular Formula | C15H12N4 |
|---|---|
| Molecular Weight | 248.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 99.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.1062 |
| Heavy Atoms | 19 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 61381-99-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)C#N)C#N)N |
| InChIKey | BXERHCITLNBIMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzonitrile, 3,3'-methylenebis[6-amino- (CAS 61381-99-5), with molecular formula C15H12N4 and molecular weight 248.11 g/mol. IUPAC: 2-amino-5-[(4-amino-3-cyanophenyl)methyl]benzonitrile.
Chemical Property Profile of Benzonitrile, 3,3'-methylenebis[6-amino-
Property Insights of Benzonitrile, 3,3'-methylenebis[6-amino-
The XLogP value of 3.0 indicates that Benzonitrile, 3,3'-methylenebis[6-amino- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 3,3'-methylenebis[6-amino-. Following Lipinski's Rule of Five, Benzonitrile, 3,3'-methylenebis[6-amino- has 2 hydrogen bond donor(s) and 4 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 Benzonitrile, 3,3'-methylenebis[6-amino-?
The CAS number of Benzonitrile, 3,3'-methylenebis[6-amino- is 61381-99-5.
What is the molecular formula of Benzonitrile, 3,3'-methylenebis[6-amino-?
The molecular formula of Benzonitrile, 3,3'-methylenebis[6-amino- is C15H12N4.
What is the molecular weight of Benzonitrile, 3,3'-methylenebis[6-amino-?
The molecular weight of Benzonitrile, 3,3'-methylenebis[6-amino- is 248.11 g/mol.
Where can I buy Benzonitrile, 3,3'-methylenebis[6-amino-?
You can request a quote for Benzonitrile, 3,3'-methylenebis[6-amino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 3,3'-methylenebis[6-amino-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 3,3'-methylenebis[6-amino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.