![3-[5-(4-bromophenyl)-1-methyl-1H-pyrrol-2-yl]-2-cyano-2-propenethioamide structure](/static/products/709/709000-53-3.png)
3-[5-(4-bromophenyl)-1-methyl-1H-pyrrol-2-yl]-2-cyano-2-propenethioamide
TL;DR: 3-[5-(4-bromophenyl)-1-methyl-1H-pyrrol-2-yl]-2-cyano-2-propenethioamide (CAS 709000-53-3) is a chemical compound with molecular formula C15H12BrN3S and molecular weight 344.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[5-(4-bromophenyl)-1-methylpyrrol-2-yl]-2-cyanoprop-2-enethioamide
Also Known As: 3-[5-(4-bromophenyl)-1-methyl-1H-pyrrol-2-yl]-2-cyano-2-propenethioamide, (E)-3-[5-(4-bromophenyl)-1-methylpyrrol-2-yl]-2-cyanoprop-2-enethioamide, (2E)-3-[5-(4-bromophenyl)-1-methyl-1H-pyrrol-2-yl]-2-cyanoprop-2-enethioamide, (E)-3-(5-(4-bromophenyl)-1-methyl-1H-pyrrol-2-yl)-2-cyanoprop-2-enethioamide
| Molecular Formula | C15H12BrN3S |
|---|---|
| Molecular Weight | 344.99 g/mol |
| LogP | 3.64768 |
| Topological Polar Surface Area | 54.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.99353 |
| Heavy Atoms | 20 |
| Complexity | 720.56714 |
Chemical Identifiers
| CAS Number | 709000-53-3 |
|---|---|
| SMILES | CN1C(=CC=C1C2=CC=C(C=C2)Br)/C=C(\C#N)/C(=S)N |
Product Overview
3-[5-(4-bromophenyl)-1-methyl-1H-pyrrol-2-yl]-2-cyano-2-propenethioamide (CAS 709000-53-3), with molecular formula C15H12BrN3S and molecular weight 344.99 g/mol. IUPAC: (E)-3-[5-(4-bromophenyl)-1-methylpyrrol-2-yl]-2-cyanoprop-2-enethioamide.
Chemical Property Profile of 3-[5-(4-bromophenyl)-1-methyl-1H-pyrrol-2-yl]-2-cyano-2-propenethioamide
Property Insights of 3-[5-(4-bromophenyl)-1-methyl-1H-pyrrol-2-yl]-2-cyano-2-propenethioamide
The XLogP value of 3.64768 indicates that 3-[5-(4-bromophenyl)-1-methyl-1H-pyrrol-2-yl]-2-cyano-2-propenethioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.74 Ų, 3-[5-(4-bromophenyl)-1-methyl-1H-pyrrol-2-yl]-2-cyano-2-propenethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[5-(4-bromophenyl)-1-methyl-1H-pyrrol-2-yl]-2-cyano-2-propenethioamide 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-[5-(4-bromophenyl)-1-methyl-1H-pyrrol-2-yl]-2-cyano-2-propenethioamide?
The CAS number of 3-[5-(4-bromophenyl)-1-methyl-1H-pyrrol-2-yl]-2-cyano-2-propenethioamide is 709000-53-3.
What is the molecular formula of 3-[5-(4-bromophenyl)-1-methyl-1H-pyrrol-2-yl]-2-cyano-2-propenethioamide?
The molecular formula of 3-[5-(4-bromophenyl)-1-methyl-1H-pyrrol-2-yl]-2-cyano-2-propenethioamide is C15H12BrN3S.
What is the molecular weight of 3-[5-(4-bromophenyl)-1-methyl-1H-pyrrol-2-yl]-2-cyano-2-propenethioamide?
The molecular weight of 3-[5-(4-bromophenyl)-1-methyl-1H-pyrrol-2-yl]-2-cyano-2-propenethioamide is 344.99 g/mol.
Where can I buy 3-[5-(4-bromophenyl)-1-methyl-1H-pyrrol-2-yl]-2-cyano-2-propenethioamide?
You can request a quote for 3-[5-(4-bromophenyl)-1-methyl-1H-pyrrol-2-yl]-2-cyano-2-propenethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-(4-bromophenyl)-1-methyl-1H-pyrrol-2-yl]-2-cyano-2-propenethioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-(4-bromophenyl)-1-methyl-1H-pyrrol-2-yl]-2-cyano-2-propenethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.