1-(3-Chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea
TL;DR: 1-(3-Chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea (CAS 405067-57-4) is a chemical compound with molecular formula C13H12ClN3S and molecular weight 277.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea
Also Known As: 1-(3-chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea, N-(3-chlorophenyl)-N'-(3-pyridinylmethyl)thiourea, N-(3-CHLOROPHENYL)-N'-(3-PYRIDYLMETHYL)THIOUREA
| Molecular Formula | C13H12ClN3S |
|---|---|
| Molecular Weight | 277.04 g/mol |
| LogP | 3.2216 |
| Topological Polar Surface Area | 36.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.04404 |
| Heavy Atoms | 18 |
| Complexity | 530.7694 |
Chemical Identifiers
| CAS Number | 405067-57-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NC(=S)NCC2=CN=CC=C2 |
Product Overview
1-(3-Chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea (CAS 405067-57-4), with molecular formula C13H12ClN3S and molecular weight 277.04 g/mol. IUPAC: 1-(3-chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea.
Chemical Property Profile of 1-(3-Chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea
Property Insights of 1-(3-Chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea
The XLogP value of 3.2216 indicates that 1-(3-Chlorophenyl)-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-(3-Chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)-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-(3-Chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea?
The CAS number of 1-(3-Chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea is 405067-57-4.
What is the molecular formula of 1-(3-Chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea?
The molecular formula of 1-(3-Chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea is C13H12ClN3S.
What is the molecular weight of 1-(3-Chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea?
The molecular weight of 1-(3-Chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea is 277.04 g/mol.
Where can I buy 1-(3-Chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea?
You can request a quote for 1-(3-Chlorophenyl)-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-(3-Chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.