![3-[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoic acid structure](/static/products/7499/749907-05-9.webp)
3-[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoic acid
TL;DR: 3-[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoic acid (CAS 749907-05-9) is a chemical compound with molecular formula C16H13ClN2O2 and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enoic acid
Also Known As: 3-[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoic acid, (2E)-3-[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoacrylic acid, (E)-3-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enoic acid, 3-(1-(3-CHLOROPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL)-2-CYANOACRYLIC ACID, 3-(1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-cyanoprop-2-enoic acid
| Molecular Formula | C16H13ClN2O2 |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 3.73912 |
| Topological Polar Surface Area | 66.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.06656 |
| Heavy Atoms | 21 |
| Complexity | 782.06006 |
Chemical Identifiers
| CAS Number | 749907-05-9 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)/C=C(\C#N)/C(=O)O |
Product Overview
3-[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoic acid (CAS 749907-05-9), with molecular formula C16H13ClN2O2 and molecular weight 300.07 g/mol. IUPAC: (E)-3-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enoic acid.
Chemical Property Profile of 3-[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoic acid
Property Insights of 3-[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoic acid
The XLogP value of 3.73912 indicates that 3-[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoic acid. Following Lipinski's Rule of Five, 3-[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoic acid 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-[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoic acid?
The CAS number of 3-[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoic acid is 749907-05-9.
What is the molecular formula of 3-[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoic acid?
The molecular formula of 3-[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoic acid is C16H13ClN2O2.
What is the molecular weight of 3-[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoic acid?
The molecular weight of 3-[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoic acid is 300.07 g/mol.
Where can I buy 3-[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoic acid?
You can request a quote for 3-[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.