1-(2,3-Dimethylphenyl)-3-(3-hydroxybutanoylamino)thiourea
TL;DR: 1-(2,3-Dimethylphenyl)-3-(3-hydroxybutanoylamino)thiourea (CAS 701931-10-4) is a chemical compound with molecular formula C13H19N3O2S and molecular weight 281.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dimethylphenyl)-3-(3-hydroxybutanoylamino)thiourea
Also Known As: 1-(2,3-dimethylphenyl)-3-(3-hydroxybutanoylamino)thiourea, N-(2,3-dimethylphenyl)-2-(3-hydroxybutanoyl)hydrazinecarbothioamide, N-({[(2,3-dimethylphenyl)amino]thioxomethyl}amino)-3-hydroxybutanamide
| Molecular Formula | C13H19N3O2S |
|---|---|
| Molecular Weight | 281.12 g/mol |
| LogP | 1.39194 |
| Topological Polar Surface Area | 73.39 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.1198 |
| Heavy Atoms | 19 |
| Complexity | 474.95618 |
Chemical Identifiers
| CAS Number | 701931-10-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=S)NNC(=O)CC(C)O)C |
Product Overview
1-(2,3-Dimethylphenyl)-3-(3-hydroxybutanoylamino)thiourea (CAS 701931-10-4), with molecular formula C13H19N3O2S and molecular weight 281.12 g/mol. IUPAC: 1-(2,3-dimethylphenyl)-3-(3-hydroxybutanoylamino)thiourea.
Chemical Property Profile of 1-(2,3-Dimethylphenyl)-3-(3-hydroxybutanoylamino)thiourea
Property Insights of 1-(2,3-Dimethylphenyl)-3-(3-hydroxybutanoylamino)thiourea
The XLogP value of 1.39194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3-Dimethylphenyl)-3-(3-hydroxybutanoylamino)thiourea. The TPSA of 73.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,3-Dimethylphenyl)-3-(3-hydroxybutanoylamino)thiourea. Following Lipinski's Rule of Five, 1-(2,3-Dimethylphenyl)-3-(3-hydroxybutanoylamino)thiourea has 4 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-(2,3-Dimethylphenyl)-3-(3-hydroxybutanoylamino)thiourea?
The CAS number of 1-(2,3-Dimethylphenyl)-3-(3-hydroxybutanoylamino)thiourea is 701931-10-4.
What is the molecular formula of 1-(2,3-Dimethylphenyl)-3-(3-hydroxybutanoylamino)thiourea?
The molecular formula of 1-(2,3-Dimethylphenyl)-3-(3-hydroxybutanoylamino)thiourea is C13H19N3O2S.
What is the molecular weight of 1-(2,3-Dimethylphenyl)-3-(3-hydroxybutanoylamino)thiourea?
The molecular weight of 1-(2,3-Dimethylphenyl)-3-(3-hydroxybutanoylamino)thiourea is 281.12 g/mol.
Where can I buy 1-(2,3-Dimethylphenyl)-3-(3-hydroxybutanoylamino)thiourea?
You can request a quote for 1-(2,3-Dimethylphenyl)-3-(3-hydroxybutanoylamino)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3-Dimethylphenyl)-3-(3-hydroxybutanoylamino)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-Dimethylphenyl)-3-(3-hydroxybutanoylamino)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.