![3-bromo-N-[(2,4-difluorophenyl)carbamothioyl]-4-methoxybenzamide structure](/static/products/4454/445419-80-7.webp)
3-bromo-N-[(2,4-difluorophenyl)carbamothioyl]-4-methoxybenzamide
TL;DR: 3-bromo-N-[(2,4-difluorophenyl)carbamothioyl]-4-methoxybenzamide (CAS 445419-80-7) is a chemical compound with molecular formula C15H11BrF2N2O2S and molecular weight 399.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[(2,4-difluorophenyl)carbamothioyl]-4-methoxybenzamide
Also Known As: 3-bromo-N-[(2,4-difluorophenyl)carbamothioyl]-4-methoxybenzamide, AN-465/41167604, N-(3-bromo-4-methoxybenzoyl)-N'-(2,4-difluorophenyl)thiourea
| Molecular Formula | C15H11BrF2N2O2S |
|---|---|
| Molecular Weight | 399.97 g/mol |
| LogP | 3.8627 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.96927 |
| Heavy Atoms | 23 |
| Complexity | 771.13727 |
Chemical Identifiers
| CAS Number | 445419-80-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)F)F)Br |
Product Overview
3-bromo-N-[(2,4-difluorophenyl)carbamothioyl]-4-methoxybenzamide (CAS 445419-80-7), with molecular formula C15H11BrF2N2O2S and molecular weight 399.97 g/mol. IUPAC: 3-bromo-N-[(2,4-difluorophenyl)carbamothioyl]-4-methoxybenzamide.
Chemical Property Profile of 3-bromo-N-[(2,4-difluorophenyl)carbamothioyl]-4-methoxybenzamide
Property Insights of 3-bromo-N-[(2,4-difluorophenyl)carbamothioyl]-4-methoxybenzamide
The XLogP value of 3.8627 indicates that 3-bromo-N-[(2,4-difluorophenyl)carbamothioyl]-4-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, 3-bromo-N-[(2,4-difluorophenyl)carbamothioyl]-4-methoxybenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-N-[(2,4-difluorophenyl)carbamothioyl]-4-methoxybenzamide has 2 hydrogen bond donor(s) and 3 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-[(2,4-difluorophenyl)carbamothioyl]-4-methoxybenzamide?
The CAS number of 3-bromo-N-[(2,4-difluorophenyl)carbamothioyl]-4-methoxybenzamide is 445419-80-7.
What is the molecular formula of 3-bromo-N-[(2,4-difluorophenyl)carbamothioyl]-4-methoxybenzamide?
The molecular formula of 3-bromo-N-[(2,4-difluorophenyl)carbamothioyl]-4-methoxybenzamide is C15H11BrF2N2O2S.
What is the molecular weight of 3-bromo-N-[(2,4-difluorophenyl)carbamothioyl]-4-methoxybenzamide?
The molecular weight of 3-bromo-N-[(2,4-difluorophenyl)carbamothioyl]-4-methoxybenzamide is 399.97 g/mol.
Where can I buy 3-bromo-N-[(2,4-difluorophenyl)carbamothioyl]-4-methoxybenzamide?
You can request a quote for 3-bromo-N-[(2,4-difluorophenyl)carbamothioyl]-4-methoxybenzamide 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-[(2,4-difluorophenyl)carbamothioyl]-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-[(2,4-difluorophenyl)carbamothioyl]-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.