N-(4-bromo-2,6-dimethylphenyl)-N'-butyrylthiourea
TL;DR: N-(4-bromo-2,6-dimethylphenyl)-N'-butyrylthiourea (CAS 429641-74-7) is a chemical compound with molecular formula C13H17BrN2OS and molecular weight 328.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]butanamide
Also Known As: N-(4-bromo-2,6-dimethylphenyl)-N'-butyrylthiourea, N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]butanamide, N-(4-Bromo-2,6-dimethylphenyl)-N/'-butyrylthiourea, N-{[(4-bromo-2,6-dimethylphenyl)amino]carbonothioyl}butanamide
| Molecular Formula | C13H17BrN2OS |
|---|---|
| Molecular Weight | 328.02 g/mol |
| LogP | 3.67904 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.0245 |
| Heavy Atoms | 18 |
| Complexity | 451.0542 |
Chemical Identifiers
| CAS Number | 429641-74-7 |
|---|---|
| SMILES | CCCC(=O)NC(=S)NC1=C(C=C(C=C1C)Br)C |
Product Overview
N-(4-bromo-2,6-dimethylphenyl)-N'-butyrylthiourea (CAS 429641-74-7), with molecular formula C13H17BrN2OS and molecular weight 328.02 g/mol. IUPAC: N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]butanamide.
Chemical Property Profile of N-(4-bromo-2,6-dimethylphenyl)-N'-butyrylthiourea
Property Insights of N-(4-bromo-2,6-dimethylphenyl)-N'-butyrylthiourea
The XLogP value of 3.67904 indicates that N-(4-bromo-2,6-dimethylphenyl)-N'-butyrylthiourea 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-(4-bromo-2,6-dimethylphenyl)-N'-butyrylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-bromo-2,6-dimethylphenyl)-N'-butyrylthiourea 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-(4-bromo-2,6-dimethylphenyl)-N'-butyrylthiourea?
The CAS number of N-(4-bromo-2,6-dimethylphenyl)-N'-butyrylthiourea is 429641-74-7.
What is the molecular formula of N-(4-bromo-2,6-dimethylphenyl)-N'-butyrylthiourea?
The molecular formula of N-(4-bromo-2,6-dimethylphenyl)-N'-butyrylthiourea is C13H17BrN2OS.
What is the molecular weight of N-(4-bromo-2,6-dimethylphenyl)-N'-butyrylthiourea?
The molecular weight of N-(4-bromo-2,6-dimethylphenyl)-N'-butyrylthiourea is 328.02 g/mol.
Where can I buy N-(4-bromo-2,6-dimethylphenyl)-N'-butyrylthiourea?
You can request a quote for N-(4-bromo-2,6-dimethylphenyl)-N'-butyrylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-bromo-2,6-dimethylphenyl)-N'-butyrylthiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromo-2,6-dimethylphenyl)-N'-butyrylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.