![2-chloro-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-1H-pyrrol-3-yl]ethan-1-one structure](/static/products/7841/784171-52-4.webp)
2-chloro-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-1H-pyrrol-3-yl]ethan-1-one
TL;DR: 2-chloro-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-1H-pyrrol-3-yl]ethan-1-one (CAS 784171-52-4) is a chemical compound with molecular formula C10H11ClN4O and molecular weight 238.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]ethanone
Also Known As: 2-chloro-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-1H-pyrrol-3-yl]ethanone, 2-Chloro-1-(2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-1H-pyrrol-3-yl)ethanone, 2-chloro-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-1H-pyrrol-3-yl]ethan-1-one, 2-chloro-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]ethanone, 2-chloro-1-(2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-1H-pyrrol-3-yl)ethan-1-one
| Molecular Formula | C10H11ClN4O |
|---|---|
| Molecular Weight | 238.06 g/mol |
| LogP | 1.63374 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.06213 |
| Heavy Atoms | 16 |
| Complexity | 515.16144 |
Chemical Identifiers
| CAS Number | 784171-52-4 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=NC=NN2)C)C(=O)CCl |
Product Overview
2-chloro-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-1H-pyrrol-3-yl]ethan-1-one (CAS 784171-52-4), with molecular formula C10H11ClN4O and molecular weight 238.06 g/mol. IUPAC: 2-chloro-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]ethanone.
Chemical Property Profile of 2-chloro-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-1H-pyrrol-3-yl]ethan-1-one
Property Insights of 2-chloro-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-1H-pyrrol-3-yl]ethan-1-one
The XLogP value of 1.63374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-1H-pyrrol-3-yl]ethan-1-one. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-1H-pyrrol-3-yl]ethan-1-one. Following Lipinski's Rule of Five, 2-chloro-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-1H-pyrrol-3-yl]ethan-1-one has 1 hydrogen bond donor(s) and 3 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 2-chloro-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-1H-pyrrol-3-yl]ethan-1-one?
The CAS number of 2-chloro-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-1H-pyrrol-3-yl]ethan-1-one is 784171-52-4.
What is the molecular formula of 2-chloro-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-1H-pyrrol-3-yl]ethan-1-one?
The molecular formula of 2-chloro-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-1H-pyrrol-3-yl]ethan-1-one is C10H11ClN4O.
What is the molecular weight of 2-chloro-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-1H-pyrrol-3-yl]ethan-1-one?
The molecular weight of 2-chloro-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-1H-pyrrol-3-yl]ethan-1-one is 238.06 g/mol.
Where can I buy 2-chloro-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-1H-pyrrol-3-yl]ethan-1-one?
You can request a quote for 2-chloro-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-1H-pyrrol-3-yl]ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-1H-pyrrol-3-yl]ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-1H-pyrrol-3-yl]ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.