1-(4-Bromophenyl)-3-(pyridine-3-carbonylamino)thiourea
TL;DR: 1-(4-Bromophenyl)-3-(pyridine-3-carbonylamino)thiourea (CAS 127055-58-7) is a chemical compound with molecular formula C13H11BrN4OS and molecular weight 349.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-3-(pyridine-3-carbonylamino)thiourea
Also Known As: BAS 01506431, 1-(4-bromophenyl)-3-nicotinamido-thiourea, 1-(4-bromophenyl)-3-(pyridine-3-carbonylamino)thiourea, N-(4-bromophenyl)-2-nicotinoylhydrazinecarbothioamide, 1-(4-bromophenyl)-3-(pyridin-3-ylcarbonylamino)thiourea
| Molecular Formula | C13H11BrN4OS |
|---|---|
| Molecular Weight | 349.98 g/mol |
| LogP | 2.4755 |
| Topological Polar Surface Area | 66.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.9837 |
| Heavy Atoms | 20 |
| Complexity | 603.528 |
Chemical Identifiers
| CAS Number | 127055-58-7 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)Br |
Product Overview
1-(4-Bromophenyl)-3-(pyridine-3-carbonylamino)thiourea (CAS 127055-58-7), with molecular formula C13H11BrN4OS and molecular weight 349.98 g/mol. IUPAC: 1-(4-bromophenyl)-3-(pyridine-3-carbonylamino)thiourea.
Chemical Property Profile of 1-(4-Bromophenyl)-3-(pyridine-3-carbonylamino)thiourea
Property Insights of 1-(4-Bromophenyl)-3-(pyridine-3-carbonylamino)thiourea
The XLogP value of 2.4755 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Bromophenyl)-3-(pyridine-3-carbonylamino)thiourea. The TPSA of 66.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Bromophenyl)-3-(pyridine-3-carbonylamino)thiourea. Following Lipinski's Rule of Five, 1-(4-Bromophenyl)-3-(pyridine-3-carbonylamino)thiourea has 3 hydrogen bond donor(s) and 3 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-Bromophenyl)-3-(pyridine-3-carbonylamino)thiourea?
The CAS number of 1-(4-Bromophenyl)-3-(pyridine-3-carbonylamino)thiourea is 127055-58-7.
What is the molecular formula of 1-(4-Bromophenyl)-3-(pyridine-3-carbonylamino)thiourea?
The molecular formula of 1-(4-Bromophenyl)-3-(pyridine-3-carbonylamino)thiourea is C13H11BrN4OS.
What is the molecular weight of 1-(4-Bromophenyl)-3-(pyridine-3-carbonylamino)thiourea?
The molecular weight of 1-(4-Bromophenyl)-3-(pyridine-3-carbonylamino)thiourea is 349.98 g/mol.
Where can I buy 1-(4-Bromophenyl)-3-(pyridine-3-carbonylamino)thiourea?
You can request a quote for 1-(4-Bromophenyl)-3-(pyridine-3-carbonylamino)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-Bromophenyl)-3-(pyridine-3-carbonylamino)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromophenyl)-3-(pyridine-3-carbonylamino)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.