1-(4-Butylphenyl)-3-(pyridin-3-ylmethyl)thiourea
TL;DR: 1-(4-Butylphenyl)-3-(pyridin-3-ylmethyl)thiourea (CAS 692775-91-0) is a chemical compound with molecular formula C17H21N3S and molecular weight 299.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-butylphenyl)-3-(pyridin-3-ylmethyl)thiourea
Also Known As: 1-(4-butylphenyl)-3-(pyridin-3-ylmethyl)thiourea, N-(4-butylphenyl)-N'-(3-pyridinylmethyl)thiourea
| Molecular Formula | C17H21N3S |
|---|---|
| Molecular Weight | 299.15 g/mol |
| LogP | 3.9108 |
| Topological Polar Surface Area | 36.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.14563 |
| Heavy Atoms | 21 |
| Complexity | 552.0077 |
Chemical Identifiers
| CAS Number | 692775-91-0 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)NC(=S)NCC2=CN=CC=C2 |
Product Overview
1-(4-Butylphenyl)-3-(pyridin-3-ylmethyl)thiourea (CAS 692775-91-0), with molecular formula C17H21N3S and molecular weight 299.15 g/mol. IUPAC: 1-(4-butylphenyl)-3-(pyridin-3-ylmethyl)thiourea.
Chemical Property Profile of 1-(4-Butylphenyl)-3-(pyridin-3-ylmethyl)thiourea
Property Insights of 1-(4-Butylphenyl)-3-(pyridin-3-ylmethyl)thiourea
The XLogP value of 3.9108 indicates that 1-(4-Butylphenyl)-3-(pyridin-3-ylmethyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.95 Ų, 1-(4-Butylphenyl)-3-(pyridin-3-ylmethyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Butylphenyl)-3-(pyridin-3-ylmethyl)thiourea has 2 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 1-(4-Butylphenyl)-3-(pyridin-3-ylmethyl)thiourea?
The CAS number of 1-(4-Butylphenyl)-3-(pyridin-3-ylmethyl)thiourea is 692775-91-0.
What is the molecular formula of 1-(4-Butylphenyl)-3-(pyridin-3-ylmethyl)thiourea?
The molecular formula of 1-(4-Butylphenyl)-3-(pyridin-3-ylmethyl)thiourea is C17H21N3S.
What is the molecular weight of 1-(4-Butylphenyl)-3-(pyridin-3-ylmethyl)thiourea?
The molecular weight of 1-(4-Butylphenyl)-3-(pyridin-3-ylmethyl)thiourea is 299.15 g/mol.
Where can I buy 1-(4-Butylphenyl)-3-(pyridin-3-ylmethyl)thiourea?
You can request a quote for 1-(4-Butylphenyl)-3-(pyridin-3-ylmethyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Butylphenyl)-3-(pyridin-3-ylmethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Butylphenyl)-3-(pyridin-3-ylmethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.