![[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile structure](/static/products/4278/42780-48-3.webp)
[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile
TL;DR: [1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile (CAS 42780-48-3) is a chemical compound with molecular formula C14H13ClN2 and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetonitrile
Also Known As: [1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile|2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]acetonitrile|2-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile|2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetonitrile|2-Methylsulfonyl-5-bromopyrimidine-4-carboxylic acid|SR-01000072816-1|1-(4-CHLOROPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]ACETONITRILE|2-(1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)acetonitrile
| Molecular Formula | C14H13ClN2 |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 3.81362 |
| Topological Polar Surface Area | 28.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.07672 |
| Heavy Atoms | 17 |
| Complexity | 573.50507 |
Chemical Identifiers
| CAS Number | 42780-48-3 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)CC#N |
Product Overview
[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile (CAS 42780-48-3), with molecular formula C14H13ClN2 and molecular weight 244.08 g/mol. IUPAC: 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetonitrile.
Chemical Property Profile of [1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile
Property Insights of [1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile
The XLogP value of 3.81362 indicates that [1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile 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-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile 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-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile?
The CAS number of [1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile is 42780-48-3.
What is the molecular formula of [1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile?
The molecular formula of [1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile is C14H13ClN2.
What is the molecular weight of [1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile?
The molecular weight of [1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile is 244.08 g/mol.
Where can I buy [1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile?
You can request a quote for [1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.