(E)-3-(5-(3-chlorophenyl)-1-methyl-1H-pyrrol-2-yl)-2-cyanoprop-2-enethioamide
TL;DR: (E)-3-(5-(3-chlorophenyl)-1-methyl-1H-pyrrol-2-yl)-2-cyanoprop-2-enethioamide (CAS 708249-32-5) is a chemical compound with molecular formula C15H12ClN3S and molecular weight 301.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[5-(3-chlorophenyl)-1-methylpyrrol-2-yl]-2-cyanoprop-2-enethioamide
Also Known As: (E)-3-(5-(3-chlorophenyl)-1-methyl-1H-pyrrol-2-yl)-2-cyanoprop-2-enethioamide, (2E)-3-[5-(3-chlorophenyl)-1-methyl-1H-pyrrol-2-yl]-2-cyanoprop-2-enethioamide, (E)-3-[5-(3-chlorophenyl)-1-methylpyrrol-2-yl]-2-cyanoprop-2-enethioamide, F1576-0059, (2E)-2-(aminothioxomethyl)-3-[5-(3-chlorophenyl)-1-methylpyrrol-2-yl]prop-2-en enitrile
| Molecular Formula | C15H12ClN3S |
|---|---|
| Molecular Weight | 301.04 g/mol |
| LogP | 3.53858 |
| Topological Polar Surface Area | 54.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.04404 |
| Heavy Atoms | 20 |
| Complexity | 737.81714 |
Chemical Identifiers
| CAS Number | 708249-32-5 |
|---|---|
| SMILES | CN1C(=CC=C1C2=CC(=CC=C2)Cl)/C=C(\C#N)/C(=S)N |
Product Overview
(E)-3-(5-(3-chlorophenyl)-1-methyl-1H-pyrrol-2-yl)-2-cyanoprop-2-enethioamide (CAS 708249-32-5), with molecular formula C15H12ClN3S and molecular weight 301.04 g/mol. IUPAC: (E)-3-[5-(3-chlorophenyl)-1-methylpyrrol-2-yl]-2-cyanoprop-2-enethioamide.
Chemical Property Profile of (E)-3-(5-(3-chlorophenyl)-1-methyl-1H-pyrrol-2-yl)-2-cyanoprop-2-enethioamide
Property Insights of (E)-3-(5-(3-chlorophenyl)-1-methyl-1H-pyrrol-2-yl)-2-cyanoprop-2-enethioamide
The XLogP value of 3.53858 indicates that (E)-3-(5-(3-chlorophenyl)-1-methyl-1H-pyrrol-2-yl)-2-cyanoprop-2-enethioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.74 Ų, (E)-3-(5-(3-chlorophenyl)-1-methyl-1H-pyrrol-2-yl)-2-cyanoprop-2-enethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(5-(3-chlorophenyl)-1-methyl-1H-pyrrol-2-yl)-2-cyanoprop-2-enethioamide 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 (E)-3-(5-(3-chlorophenyl)-1-methyl-1H-pyrrol-2-yl)-2-cyanoprop-2-enethioamide?
The CAS number of (E)-3-(5-(3-chlorophenyl)-1-methyl-1H-pyrrol-2-yl)-2-cyanoprop-2-enethioamide is 708249-32-5.
What is the molecular formula of (E)-3-(5-(3-chlorophenyl)-1-methyl-1H-pyrrol-2-yl)-2-cyanoprop-2-enethioamide?
The molecular formula of (E)-3-(5-(3-chlorophenyl)-1-methyl-1H-pyrrol-2-yl)-2-cyanoprop-2-enethioamide is C15H12ClN3S.
What is the molecular weight of (E)-3-(5-(3-chlorophenyl)-1-methyl-1H-pyrrol-2-yl)-2-cyanoprop-2-enethioamide?
The molecular weight of (E)-3-(5-(3-chlorophenyl)-1-methyl-1H-pyrrol-2-yl)-2-cyanoprop-2-enethioamide is 301.04 g/mol.
Where can I buy (E)-3-(5-(3-chlorophenyl)-1-methyl-1H-pyrrol-2-yl)-2-cyanoprop-2-enethioamide?
You can request a quote for (E)-3-(5-(3-chlorophenyl)-1-methyl-1H-pyrrol-2-yl)-2-cyanoprop-2-enethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(5-(3-chlorophenyl)-1-methyl-1H-pyrrol-2-yl)-2-cyanoprop-2-enethioamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(5-(3-chlorophenyl)-1-methyl-1H-pyrrol-2-yl)-2-cyanoprop-2-enethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.