![1-[1-(1,3-benzodioxol-5-yl)-1H-pyrrol-2-yl]-2,2,2-trichloro-1-ethanone structure](/static/products/3831/383147-46-4.webp)
1-[1-(1,3-benzodioxol-5-yl)-1H-pyrrol-2-yl]-2,2,2-trichloro-1-ethanone
TL;DR: 1-[1-(1,3-benzodioxol-5-yl)-1H-pyrrol-2-yl]-2,2,2-trichloro-1-ethanone (CAS 383147-46-4) is a chemical compound with molecular formula C13H8Cl3NO3 and molecular weight 330.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(1,3-benzodioxol-5-yl)pyrrol-2-yl]-2,2,2-trichloroethanone
Also Known As: 1-[1-(1,3-benzodioxol-5-yl)-1H-pyrrol-2-yl]-2,2,2-trichloro-1-ethanone, 1-[1-(2H-1,3-benzodioxol-5-yl)-1H-pyrrol-2-yl]-2,2,2-trichloroethan-1-one, 1-[1-(1,3-benzodioxol-5-yl)pyrrol-2-yl]-2,2,2-trichloroethanone, 12R-0626, 1-[1-(1,3-benzodioxol-5-yl)pyrrol-2-yl]-2,2,2-trichloro-ethanone
| Molecular Formula | C13H8Cl3NO3 |
|---|---|
| Molecular Weight | 330.96 g/mol |
| LogP | 3.7589 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.95697 |
| Heavy Atoms | 20 |
| Complexity | 675.74115 |
Chemical Identifiers
| CAS Number | 383147-46-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)N3C=CC=C3C(=O)C(Cl)(Cl)Cl |
Product Overview
1-[1-(1,3-benzodioxol-5-yl)-1H-pyrrol-2-yl]-2,2,2-trichloro-1-ethanone (CAS 383147-46-4), with molecular formula C13H8Cl3NO3 and molecular weight 330.96 g/mol. IUPAC: 1-[1-(1,3-benzodioxol-5-yl)pyrrol-2-yl]-2,2,2-trichloroethanone.
Chemical Property Profile of 1-[1-(1,3-benzodioxol-5-yl)-1H-pyrrol-2-yl]-2,2,2-trichloro-1-ethanone
Property Insights of 1-[1-(1,3-benzodioxol-5-yl)-1H-pyrrol-2-yl]-2,2,2-trichloro-1-ethanone
The XLogP value of 3.7589 indicates that 1-[1-(1,3-benzodioxol-5-yl)-1H-pyrrol-2-yl]-2,2,2-trichloro-1-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, 1-[1-(1,3-benzodioxol-5-yl)-1H-pyrrol-2-yl]-2,2,2-trichloro-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[1-(1,3-benzodioxol-5-yl)-1H-pyrrol-2-yl]-2,2,2-trichloro-1-ethanone has 0 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 1-[1-(1,3-benzodioxol-5-yl)-1H-pyrrol-2-yl]-2,2,2-trichloro-1-ethanone?
The CAS number of 1-[1-(1,3-benzodioxol-5-yl)-1H-pyrrol-2-yl]-2,2,2-trichloro-1-ethanone is 383147-46-4.
What is the molecular formula of 1-[1-(1,3-benzodioxol-5-yl)-1H-pyrrol-2-yl]-2,2,2-trichloro-1-ethanone?
The molecular formula of 1-[1-(1,3-benzodioxol-5-yl)-1H-pyrrol-2-yl]-2,2,2-trichloro-1-ethanone is C13H8Cl3NO3.
What is the molecular weight of 1-[1-(1,3-benzodioxol-5-yl)-1H-pyrrol-2-yl]-2,2,2-trichloro-1-ethanone?
The molecular weight of 1-[1-(1,3-benzodioxol-5-yl)-1H-pyrrol-2-yl]-2,2,2-trichloro-1-ethanone is 330.96 g/mol.
Where can I buy 1-[1-(1,3-benzodioxol-5-yl)-1H-pyrrol-2-yl]-2,2,2-trichloro-1-ethanone?
You can request a quote for 1-[1-(1,3-benzodioxol-5-yl)-1H-pyrrol-2-yl]-2,2,2-trichloro-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[1-(1,3-benzodioxol-5-yl)-1H-pyrrol-2-yl]-2,2,2-trichloro-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-(1,3-benzodioxol-5-yl)-1H-pyrrol-2-yl]-2,2,2-trichloro-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.