N-mesityl-N'-(3-methylbutanoyl)thiourea
TL;DR: N-mesityl-N'-(3-methylbutanoyl)thiourea (CAS 791790-35-7) is a chemical compound with molecular formula C15H22N2OS and molecular weight 278.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]butanamide
Also Known As: N-mesityl-N'-(3-methylbutanoyl)thiourea, N-Mesityl-N/'-(3-methylbutanoyl)thiourea, N-[(mesitylamino)carbonothioyl]-3-methylbutanamide, 3-methyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]butanamide, AN-329/41168338
| Molecular Formula | C15H22N2OS |
|---|---|
| Molecular Weight | 278.15 g/mol |
| LogP | 3.47096 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.1453 |
| Heavy Atoms | 19 |
| Complexity | 471.9141 |
Chemical Identifiers
| CAS Number | 791790-35-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=S)NC(=O)CC(C)C)C |
Product Overview
N-mesityl-N'-(3-methylbutanoyl)thiourea (CAS 791790-35-7), with molecular formula C15H22N2OS and molecular weight 278.15 g/mol. IUPAC: 3-methyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]butanamide.
Chemical Property Profile of N-mesityl-N'-(3-methylbutanoyl)thiourea
Property Insights of N-mesityl-N'-(3-methylbutanoyl)thiourea
The XLogP value of 3.47096 indicates that N-mesityl-N'-(3-methylbutanoyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, N-mesityl-N'-(3-methylbutanoyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-mesityl-N'-(3-methylbutanoyl)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 N-mesityl-N'-(3-methylbutanoyl)thiourea?
The CAS number of N-mesityl-N'-(3-methylbutanoyl)thiourea is 791790-35-7.
What is the molecular formula of N-mesityl-N'-(3-methylbutanoyl)thiourea?
The molecular formula of N-mesityl-N'-(3-methylbutanoyl)thiourea is C15H22N2OS.
What is the molecular weight of N-mesityl-N'-(3-methylbutanoyl)thiourea?
The molecular weight of N-mesityl-N'-(3-methylbutanoyl)thiourea is 278.15 g/mol.
Where can I buy N-mesityl-N'-(3-methylbutanoyl)thiourea?
You can request a quote for N-mesityl-N'-(3-methylbutanoyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-mesityl-N'-(3-methylbutanoyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-mesityl-N'-(3-methylbutanoyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.