3-Imino-3-(4-methylphenyl)propanenitrile
TL;DR: 3-Imino-3-(4-methylphenyl)propanenitrile (CAS 64247-53-6) is a chemical compound with molecular formula C10H10N2 and molecular weight 158.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-imino-3-(4-methylphenyl)propanenitrile
Also Known As: 3-imino-3-(4-methylphenyl)propanenitrile, Benzenepropanenitrile, -b?ta--imino-4-methyl-
| Molecular Formula | C10H10N2 |
|---|---|
| Molecular Weight | 158.08 g/mol |
| LogP | 2.27657 |
| Topological Polar Surface Area | 47.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.0844 |
| Heavy Atoms | 12 |
| Complexity | 316.68698 |
Chemical Identifiers
| CAS Number | 64247-53-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=N)CC#N |
Product Overview
3-Imino-3-(4-methylphenyl)propanenitrile (CAS 64247-53-6), with molecular formula C10H10N2 and molecular weight 158.08 g/mol. IUPAC: 3-imino-3-(4-methylphenyl)propanenitrile.
Chemical Property Profile of 3-Imino-3-(4-methylphenyl)propanenitrile
Property Insights of 3-Imino-3-(4-methylphenyl)propanenitrile
The XLogP value of 2.27657 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Imino-3-(4-methylphenyl)propanenitrile. With a topological polar surface area (TPSA) of 47.64 Ų, 3-Imino-3-(4-methylphenyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Imino-3-(4-methylphenyl)propanenitrile has 1 hydrogen bond donor(s) and 2 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 3-Imino-3-(4-methylphenyl)propanenitrile?
The CAS number of 3-Imino-3-(4-methylphenyl)propanenitrile is 64247-53-6.
What is the molecular formula of 3-Imino-3-(4-methylphenyl)propanenitrile?
The molecular formula of 3-Imino-3-(4-methylphenyl)propanenitrile is C10H10N2.
What is the molecular weight of 3-Imino-3-(4-methylphenyl)propanenitrile?
The molecular weight of 3-Imino-3-(4-methylphenyl)propanenitrile is 158.08 g/mol.
Where can I buy 3-Imino-3-(4-methylphenyl)propanenitrile?
You can request a quote for 3-Imino-3-(4-methylphenyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Imino-3-(4-methylphenyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Imino-3-(4-methylphenyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.