3,5-dimethyl-1H-pyrrole-2-carbonitrile
TL;DR: 3,5-dimethyl-1H-pyrrole-2-carbonitrile (CAS 4513-92-2) is a chemical compound with molecular formula C7H8N2 and molecular weight 120.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-1H-pyrrole-2-carbonitrile
Also Known As: 3,5-dimethyl-1H-pyrrole-2-carbonitrile, 3,5-DIMETHYLPYRROLE-2-CARBONITRILE, 3,5-Dimethyl-pyrrol-2-carbonitril, 1H-Pyrrole-2-carbonitrile, 3,5-dimethyl-, 3,5-dimethyl-1~{H}-pyrrole-2-carbonitrile
| Molecular Formula | C7H8N2 |
|---|---|
| Molecular Weight | 120.07 g/mol |
| LogP | 1.50322 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 120.06875 |
| Heavy Atoms | 9 |
| Complexity | 252.37013 |
Chemical Identifiers
| CAS Number | 4513-92-2 |
|---|---|
| SMILES | CC1=CC(=C(N1)C#N)C |
Product Overview
3,5-dimethyl-1H-pyrrole-2-carbonitrile (CAS 4513-92-2), with molecular formula C7H8N2 and molecular weight 120.07 g/mol. IUPAC: 3,5-dimethyl-1H-pyrrole-2-carbonitrile.
Chemical Property Profile of 3,5-dimethyl-1H-pyrrole-2-carbonitrile
Property Insights of 3,5-dimethyl-1H-pyrrole-2-carbonitrile
The XLogP value of 1.50322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-dimethyl-1H-pyrrole-2-carbonitrile. With a topological polar surface area (TPSA) of 39.58 Ų, 3,5-dimethyl-1H-pyrrole-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-dimethyl-1H-pyrrole-2-carbonitrile has 1 hydrogen bond donor(s) and 1 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 3,5-dimethyl-1H-pyrrole-2-carbonitrile?
The CAS number of 3,5-dimethyl-1H-pyrrole-2-carbonitrile is 4513-92-2.
What is the molecular formula of 3,5-dimethyl-1H-pyrrole-2-carbonitrile?
The molecular formula of 3,5-dimethyl-1H-pyrrole-2-carbonitrile is C7H8N2.
What is the molecular weight of 3,5-dimethyl-1H-pyrrole-2-carbonitrile?
The molecular weight of 3,5-dimethyl-1H-pyrrole-2-carbonitrile is 120.07 g/mol.
Where can I buy 3,5-dimethyl-1H-pyrrole-2-carbonitrile?
You can request a quote for 3,5-dimethyl-1H-pyrrole-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-dimethyl-1H-pyrrole-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dimethyl-1H-pyrrole-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.