N-(benzylcarbamothioyl)-3-bromo-4-methylbenzamide
TL;DR: N-(benzylcarbamothioyl)-3-bromo-4-methylbenzamide (CAS 642979-92-8) is a chemical compound with molecular formula C16H15BrN2OS and molecular weight 362.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzylcarbamothioyl)-3-bromo-4-methylbenzamide
Also Known As: N-(benzylcarbamothioyl)-3-bromo-4-methylbenzamide, N-benzyl-N'-(3-bromo-4-methylbenzoyl)thiourea, AN-329/41561819, N-[(benzylamino)carbonothioyl]-3-bromo-4-methylbenzamide
| Molecular Formula | C16H15BrN2OS |
|---|---|
| Molecular Weight | 362.01 g/mol |
| LogP | 3.56202 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.00885 |
| Heavy Atoms | 21 |
| Complexity | 658.5815 |
Chemical Identifiers
| CAS Number | 642979-92-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=CC=C2)Br |
Product Overview
N-(benzylcarbamothioyl)-3-bromo-4-methylbenzamide (CAS 642979-92-8), with molecular formula C16H15BrN2OS and molecular weight 362.01 g/mol. IUPAC: N-(benzylcarbamothioyl)-3-bromo-4-methylbenzamide.
Chemical Property Profile of N-(benzylcarbamothioyl)-3-bromo-4-methylbenzamide
Property Insights of N-(benzylcarbamothioyl)-3-bromo-4-methylbenzamide
The XLogP value of 3.56202 indicates that N-(benzylcarbamothioyl)-3-bromo-4-methylbenzamide 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-(benzylcarbamothioyl)-3-bromo-4-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(benzylcarbamothioyl)-3-bromo-4-methylbenzamide 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-(benzylcarbamothioyl)-3-bromo-4-methylbenzamide?
The CAS number of N-(benzylcarbamothioyl)-3-bromo-4-methylbenzamide is 642979-92-8.
What is the molecular formula of N-(benzylcarbamothioyl)-3-bromo-4-methylbenzamide?
The molecular formula of N-(benzylcarbamothioyl)-3-bromo-4-methylbenzamide is C16H15BrN2OS.
What is the molecular weight of N-(benzylcarbamothioyl)-3-bromo-4-methylbenzamide?
The molecular weight of N-(benzylcarbamothioyl)-3-bromo-4-methylbenzamide is 362.01 g/mol.
Where can I buy N-(benzylcarbamothioyl)-3-bromo-4-methylbenzamide?
You can request a quote for N-(benzylcarbamothioyl)-3-bromo-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(benzylcarbamothioyl)-3-bromo-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(benzylcarbamothioyl)-3-bromo-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.