![3-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide structure](/static/products/6429/642979-77-9.webp)
3-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide
TL;DR: 3-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide (CAS 642979-77-9) is a chemical compound with molecular formula C17H17BrN2O3S and molecular weight 408.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide
Also Known As: 3-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide, AN-329/41561811, N-(3-bromo-4-methylbenzoyl)-N'-(2,5-dimethoxyphenyl)thiourea, 3-bromo-N-{[(2,5-dimethoxyphenyl)amino]carbonothioyl}-4-methylbenzamide
| Molecular Formula | C17H17BrN2O3S |
|---|---|
| Molecular Weight | 408.01 g/mol |
| LogP | 3.90152 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.01434 |
| Heavy Atoms | 24 |
| Complexity | 780.42615 |
Chemical Identifiers
| CAS Number | 642979-77-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)OC)OC)Br |
Product Overview
3-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide (CAS 642979-77-9), with molecular formula C17H17BrN2O3S and molecular weight 408.01 g/mol. IUPAC: 3-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide.
Chemical Property Profile of 3-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide
Property Insights of 3-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide
The XLogP value of 3.90152 indicates that 3-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, 3-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide has 2 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 3-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide?
The CAS number of 3-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide is 642979-77-9.
What is the molecular formula of 3-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide?
The molecular formula of 3-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide is C17H17BrN2O3S.
What is the molecular weight of 3-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide?
The molecular weight of 3-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide is 408.01 g/mol.
Where can I buy 3-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide?
You can request a quote for 3-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.