![1-[4-(2,5-Dimethylpyrrol-1-yl)butyl]-3-phenylthiourea structure](/static/products/3473/347335-04-0.webp)
1-[4-(2,5-Dimethylpyrrol-1-yl)butyl]-3-phenylthiourea
TL;DR: 1-[4-(2,5-Dimethylpyrrol-1-yl)butyl]-3-phenylthiourea (CAS 347335-04-0) is a chemical compound with molecular formula C17H23N3S and molecular weight 301.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2,5-dimethylpyrrol-1-yl)butyl]-3-phenylthiourea
Also Known As: 1-[4-(2,5-dimethylpyrrol-1-yl)butyl]-3-phenylthiourea, 1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)butyl]-3-phenylthiourea, {[4-(2,5-dimethylpyrrolyl)butyl]amino}(phenylamino)methane-1-thione
| Molecular Formula | C17H23N3S |
|---|---|
| Molecular Weight | 301.16 g/mol |
| LogP | 3.87174 |
| Topological Polar Surface Area | 28.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.16125 |
| Heavy Atoms | 21 |
| Complexity | 555.4761 |
Chemical Identifiers
| CAS Number | 347335-04-0 |
|---|---|
| SMILES | CC1=CC=C(N1CCCCNC(=S)NC2=CC=CC=C2)C |
Product Overview
1-[4-(2,5-Dimethylpyrrol-1-yl)butyl]-3-phenylthiourea (CAS 347335-04-0), with molecular formula C17H23N3S and molecular weight 301.16 g/mol. IUPAC: 1-[4-(2,5-dimethylpyrrol-1-yl)butyl]-3-phenylthiourea.
Chemical Property Profile of 1-[4-(2,5-Dimethylpyrrol-1-yl)butyl]-3-phenylthiourea
Property Insights of 1-[4-(2,5-Dimethylpyrrol-1-yl)butyl]-3-phenylthiourea
The XLogP value of 3.87174 indicates that 1-[4-(2,5-Dimethylpyrrol-1-yl)butyl]-3-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.99 Ų, 1-[4-(2,5-Dimethylpyrrol-1-yl)butyl]-3-phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(2,5-Dimethylpyrrol-1-yl)butyl]-3-phenylthiourea has 2 hydrogen bond donor(s) and 1 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-[4-(2,5-Dimethylpyrrol-1-yl)butyl]-3-phenylthiourea?
The CAS number of 1-[4-(2,5-Dimethylpyrrol-1-yl)butyl]-3-phenylthiourea is 347335-04-0.
What is the molecular formula of 1-[4-(2,5-Dimethylpyrrol-1-yl)butyl]-3-phenylthiourea?
The molecular formula of 1-[4-(2,5-Dimethylpyrrol-1-yl)butyl]-3-phenylthiourea is C17H23N3S.
What is the molecular weight of 1-[4-(2,5-Dimethylpyrrol-1-yl)butyl]-3-phenylthiourea?
The molecular weight of 1-[4-(2,5-Dimethylpyrrol-1-yl)butyl]-3-phenylthiourea is 301.16 g/mol.
Where can I buy 1-[4-(2,5-Dimethylpyrrol-1-yl)butyl]-3-phenylthiourea?
You can request a quote for 1-[4-(2,5-Dimethylpyrrol-1-yl)butyl]-3-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(2,5-Dimethylpyrrol-1-yl)butyl]-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(2,5-Dimethylpyrrol-1-yl)butyl]-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.