1-(Pyridin-3-ylmethyl)-3-(4-sulfamoylphenyl)thiourea
TL;DR: 1-(Pyridin-3-ylmethyl)-3-(4-sulfamoylphenyl)thiourea (CAS 693232-82-5) is a chemical compound with molecular formula C13H14N4O2S2 and molecular weight 322.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(pyridin-3-ylmethyl)-3-(4-sulfamoylphenyl)thiourea
Also Known As: CBKinase1_002407, CBKinase1_014807, 1-(pyridin-3-ylmethyl)-3-(4-sulfamoylphenyl)thiourea, 3-(pyridin-3-ylmethyl)-1-(4-sulfamoylphenyl)thiourea, BRD-K27114518-001-01-6
| Molecular Formula | C13H14N4O2S2 |
|---|---|
| Molecular Weight | 322.06 g/mol |
| LogP | 1.2156 |
| Topological Polar Surface Area | 97.11 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.05582 |
| Heavy Atoms | 21 |
| Complexity | 715.5963 |
Chemical Identifiers
| CAS Number | 693232-82-5 |
|---|---|
| SMILES | C1=CC(=CN=C1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N |
Product Overview
1-(Pyridin-3-ylmethyl)-3-(4-sulfamoylphenyl)thiourea (CAS 693232-82-5), with molecular formula C13H14N4O2S2 and molecular weight 322.06 g/mol. IUPAC: 1-(pyridin-3-ylmethyl)-3-(4-sulfamoylphenyl)thiourea.
Chemical Property Profile of 1-(Pyridin-3-ylmethyl)-3-(4-sulfamoylphenyl)thiourea
Property Insights of 1-(Pyridin-3-ylmethyl)-3-(4-sulfamoylphenyl)thiourea
The XLogP value of 1.2156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Pyridin-3-ylmethyl)-3-(4-sulfamoylphenyl)thiourea. The TPSA of 97.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Pyridin-3-ylmethyl)-3-(4-sulfamoylphenyl)thiourea. Following Lipinski's Rule of Five, 1-(Pyridin-3-ylmethyl)-3-(4-sulfamoylphenyl)thiourea has 3 hydrogen bond donor(s) and 4 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-(Pyridin-3-ylmethyl)-3-(4-sulfamoylphenyl)thiourea?
The CAS number of 1-(Pyridin-3-ylmethyl)-3-(4-sulfamoylphenyl)thiourea is 693232-82-5.
What is the molecular formula of 1-(Pyridin-3-ylmethyl)-3-(4-sulfamoylphenyl)thiourea?
The molecular formula of 1-(Pyridin-3-ylmethyl)-3-(4-sulfamoylphenyl)thiourea is C13H14N4O2S2.
What is the molecular weight of 1-(Pyridin-3-ylmethyl)-3-(4-sulfamoylphenyl)thiourea?
The molecular weight of 1-(Pyridin-3-ylmethyl)-3-(4-sulfamoylphenyl)thiourea is 322.06 g/mol.
Where can I buy 1-(Pyridin-3-ylmethyl)-3-(4-sulfamoylphenyl)thiourea?
You can request a quote for 1-(Pyridin-3-ylmethyl)-3-(4-sulfamoylphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Pyridin-3-ylmethyl)-3-(4-sulfamoylphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(Pyridin-3-ylmethyl)-3-(4-sulfamoylphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.