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1-[(2,5-Dimethylphenyl)methyl]pyrrole-2-carbonitrile
TL;DR: 1-[(2,5-Dimethylphenyl)methyl]pyrrole-2-carbonitrile (CAS 702670-06-2) is a chemical compound with molecular formula C14H14N2 and molecular weight 210.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,5-dimethylphenyl)methyl]pyrrole-2-carbonitrile
Also Known As: ChemDiv2_003034, 1-(2,5-dimethylbenzyl)-1H-pyrrole-2-carbonitrile, 1-[(2,5-dimethylphenyl)methyl]-1H-pyrrole-2-carbonitrile, 1-[(2,5-dimethylphenyl)methyl]pyrrole-2-carbonitrile, F0919-6960
| Molecular Formula | C14H14N2 |
|---|---|
| Molecular Weight | 210.12 g/mol |
| LogP | 3.02492 |
| Topological Polar Surface Area | 28.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.11569 |
| Heavy Atoms | 16 |
| Complexity | 544.1033 |
Chemical Identifiers
| CAS Number | 702670-06-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CN2C=CC=C2C#N |
Product Overview
1-[(2,5-Dimethylphenyl)methyl]pyrrole-2-carbonitrile (CAS 702670-06-2), with molecular formula C14H14N2 and molecular weight 210.12 g/mol. IUPAC: 1-[(2,5-dimethylphenyl)methyl]pyrrole-2-carbonitrile.
Chemical Property Profile of 1-[(2,5-Dimethylphenyl)methyl]pyrrole-2-carbonitrile
Property Insights of 1-[(2,5-Dimethylphenyl)methyl]pyrrole-2-carbonitrile
The XLogP value of 3.02492 indicates that 1-[(2,5-Dimethylphenyl)methyl]pyrrole-2-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.72 Ų, 1-[(2,5-Dimethylphenyl)methyl]pyrrole-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(2,5-Dimethylphenyl)methyl]pyrrole-2-carbonitrile has 0 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 1-[(2,5-Dimethylphenyl)methyl]pyrrole-2-carbonitrile?
The CAS number of 1-[(2,5-Dimethylphenyl)methyl]pyrrole-2-carbonitrile is 702670-06-2.
What is the molecular formula of 1-[(2,5-Dimethylphenyl)methyl]pyrrole-2-carbonitrile?
The molecular formula of 1-[(2,5-Dimethylphenyl)methyl]pyrrole-2-carbonitrile is C14H14N2.
What is the molecular weight of 1-[(2,5-Dimethylphenyl)methyl]pyrrole-2-carbonitrile?
The molecular weight of 1-[(2,5-Dimethylphenyl)methyl]pyrrole-2-carbonitrile is 210.12 g/mol.
Where can I buy 1-[(2,5-Dimethylphenyl)methyl]pyrrole-2-carbonitrile?
You can request a quote for 1-[(2,5-Dimethylphenyl)methyl]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 1-[(2,5-Dimethylphenyl)methyl]pyrrole-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2,5-Dimethylphenyl)methyl]pyrrole-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.