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N-[(2,3-dimethylphenyl)carbamothioyl]propanamide
TL;DR: N-[(2,3-dimethylphenyl)carbamothioyl]propanamide (CAS 445419-65-8) is a chemical compound with molecular formula C12H16N2OS and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2,3-dimethylphenyl)carbamothioyl]propanamide
Also Known As: N-[(2,3-dimethylphenyl)carbamothioyl]propanamide, N-(2,3-dimethylphenyl)-N'-propionylthiourea, AN-465/41167390
| Molecular Formula | C12H16N2OS |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.52644 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.09833 |
| Heavy Atoms | 16 |
| Complexity | 415.47983 |
Chemical Identifiers
| CAS Number | 445419-65-8 |
|---|---|
| SMILES | CCC(=O)NC(=S)NC1=CC=CC(=C1C)C |
Product Overview
N-[(2,3-dimethylphenyl)carbamothioyl]propanamide (CAS 445419-65-8), with molecular formula C12H16N2OS and molecular weight 236.10 g/mol. IUPAC: N-[(2,3-dimethylphenyl)carbamothioyl]propanamide.
Chemical Property Profile of N-[(2,3-dimethylphenyl)carbamothioyl]propanamide
Property Insights of N-[(2,3-dimethylphenyl)carbamothioyl]propanamide
The XLogP value of 2.52644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2,3-dimethylphenyl)carbamothioyl]propanamide. With a topological polar surface area (TPSA) of 41.13 Ų, N-[(2,3-dimethylphenyl)carbamothioyl]propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(2,3-dimethylphenyl)carbamothioyl]propanamide 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 N-[(2,3-dimethylphenyl)carbamothioyl]propanamide?
The CAS number of N-[(2,3-dimethylphenyl)carbamothioyl]propanamide is 445419-65-8.
What is the molecular formula of N-[(2,3-dimethylphenyl)carbamothioyl]propanamide?
The molecular formula of N-[(2,3-dimethylphenyl)carbamothioyl]propanamide is C12H16N2OS.
What is the molecular weight of N-[(2,3-dimethylphenyl)carbamothioyl]propanamide?
The molecular weight of N-[(2,3-dimethylphenyl)carbamothioyl]propanamide is 236.10 g/mol.
Where can I buy N-[(2,3-dimethylphenyl)carbamothioyl]propanamide?
You can request a quote for N-[(2,3-dimethylphenyl)carbamothioyl]propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2,3-dimethylphenyl)carbamothioyl]propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2,3-dimethylphenyl)carbamothioyl]propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.