![1-[1-(2H-1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one structure](/static/products/7318/731826-79-2.webp)
1-[1-(2H-1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one
TL;DR: 1-[1-(2H-1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one (CAS 731826-79-2) is a chemical compound with molecular formula C16H16ClNO3 and molecular weight 305.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-chloroethanone
Also Known As: 1-[1-(2H-1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one, 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethanone, 1-{1-[(1,3-dioxaindan-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-chloroethan-1-one, 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-chloroethanone, 1-(1-((1,3-dioxaindan-5-yl)methyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-chloroethan-1-one
| Molecular Formula | C16H16ClNO3 |
|---|---|
| Molecular Weight | 305.08 g/mol |
| LogP | 3.30344 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.08188 |
| Heavy Atoms | 21 |
| Complexity | 705.7879 |
Chemical Identifiers
| CAS Number | 731826-79-2 |
|---|---|
| SMILES | CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CCl |
Product Overview
1-[1-(2H-1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one (CAS 731826-79-2), with molecular formula C16H16ClNO3 and molecular weight 305.08 g/mol. IUPAC: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-chloroethanone.
Chemical Property Profile of 1-[1-(2H-1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one
Property Insights of 1-[1-(2H-1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one
The XLogP value of 3.30344 indicates that 1-[1-(2H-1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one 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-(2H-1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[1-(2H-1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one 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-(2H-1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one?
The CAS number of 1-[1-(2H-1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one is 731826-79-2.
What is the molecular formula of 1-[1-(2H-1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one?
The molecular formula of 1-[1-(2H-1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one is C16H16ClNO3.
What is the molecular weight of 1-[1-(2H-1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one?
The molecular weight of 1-[1-(2H-1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one is 305.08 g/mol.
Where can I buy 1-[1-(2H-1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one?
You can request a quote for 1-[1-(2H-1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[1-(2H-1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-(2H-1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.