1-(4-Bromo-2-chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea
TL;DR: 1-(4-Bromo-2-chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea (CAS 708241-48-9) is a chemical compound with molecular formula C13H11BrClN3S and molecular weight 354.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromo-2-chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea
Also Known As: 1-(4-bromo-2-chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea, AB00353968-04, [(4-bromo-2-chlorophenyl)amino][(3-pyridylmethyl)amino]methane-1-thione
| Molecular Formula | C13H11BrClN3S |
|---|---|
| Molecular Weight | 354.95 g/mol |
| LogP | 3.9841 |
| Topological Polar Surface Area | 36.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.95456 |
| Heavy Atoms | 19 |
| Complexity | 577.35596 |
Chemical Identifiers
| CAS Number | 708241-48-9 |
|---|---|
| SMILES | C1=CC(=CN=C1)CNC(=S)NC2=C(C=C(C=C2)Br)Cl |
Product Overview
1-(4-Bromo-2-chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea (CAS 708241-48-9), with molecular formula C13H11BrClN3S and molecular weight 354.95 g/mol. IUPAC: 1-(4-bromo-2-chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea.
Chemical Property Profile of 1-(4-Bromo-2-chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea
Property Insights of 1-(4-Bromo-2-chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea
The XLogP value of 3.9841 indicates that 1-(4-Bromo-2-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-(4-Bromo-2-chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromo-2-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-(4-Bromo-2-chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea?
The CAS number of 1-(4-Bromo-2-chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea is 708241-48-9.
What is the molecular formula of 1-(4-Bromo-2-chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea?
The molecular formula of 1-(4-Bromo-2-chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea is C13H11BrClN3S.
What is the molecular weight of 1-(4-Bromo-2-chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea?
The molecular weight of 1-(4-Bromo-2-chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea is 354.95 g/mol.
Where can I buy 1-(4-Bromo-2-chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea?
You can request a quote for 1-(4-Bromo-2-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-(4-Bromo-2-chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromo-2-chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.