![1-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)ethan-1-one structure](/static/products/920/920936-53-4.png)
1-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)ethan-1-one
TL;DR: 1-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)ethan-1-one (CAS 920936-53-4) is a chemical compound with molecular formula C23H21N5O3 and molecular weight 415.16 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-(5-phenyltetrazol-2-yl)ethanone
Also Known As: 1-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)ethan-1-one, 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(5-phenyltetrazol-2-yl)ethanone, 1-[1-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(5-ph enyl(1,2,3,4-tetraazol-2-yl))ethan-1-one
| Molecular Formula | C23H21N5O3 |
|---|---|
| Molecular Weight | 415.16 g/mol |
| LogP | 3.41834 |
| Topological Polar Surface Area | 84.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.16443 |
| Heavy Atoms | 31 |
| Complexity | 1259.715 |
Chemical Identifiers
| CAS Number | 920936-53-4 |
|---|---|
| SMILES | CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CN4N=C(N=N4)C5=CC=CC=C5 |
Product Overview
1-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)ethan-1-one (CAS 920936-53-4), with molecular formula C23H21N5O3 and molecular weight 415.16 g/mol. IUPAC: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(5-phenyltetrazol-2-yl)ethanone.
Chemical Property Profile of 1-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)ethan-1-one
Property Insights of 1-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)ethan-1-one
The XLogP value of 3.41834 indicates that 1-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)ethan-1-one. Following Lipinski's Rule of Five, 1-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)ethan-1-one has 0 hydrogen bond donor(s) and 6 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-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)ethan-1-one?
The CAS number of 1-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)ethan-1-one is 920936-53-4.
What is the molecular formula of 1-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)ethan-1-one?
The molecular formula of 1-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)ethan-1-one is C23H21N5O3.
What is the molecular weight of 1-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)ethan-1-one?
The molecular weight of 1-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)ethan-1-one is 415.16 g/mol.
Where can I buy 1-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)ethan-1-one?
You can request a quote for 1-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-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 1-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.