![3-chloro-N-[(2,4-difluorophenyl)carbamothioyl]-4-methylbenzamide structure](/static/products/4454/445419-77-2.webp)
3-chloro-N-[(2,4-difluorophenyl)carbamothioyl]-4-methylbenzamide
TL;DR: 3-chloro-N-[(2,4-difluorophenyl)carbamothioyl]-4-methylbenzamide (CAS 445419-77-2) is a chemical compound with molecular formula C15H11ClF2N2OS and molecular weight 340.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[(2,4-difluorophenyl)carbamothioyl]-4-methylbenzamide
Also Known As: 3-chloro-N-[(2,4-difluorophenyl)carbamothioyl]-4-methylbenzamide, AN-465/41167577, N-(3-chloro-4-methylbenzoyl)-N'-(2,4-difluorophenyl)thiourea
| Molecular Formula | C15H11ClF2N2OS |
|---|---|
| Molecular Weight | 340.02 g/mol |
| LogP | 4.05342 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.02487 |
| Heavy Atoms | 22 |
| Complexity | 752.31744 |
Chemical Identifiers
| CAS Number | 445419-77-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)F)F)Cl |
Product Overview
3-chloro-N-[(2,4-difluorophenyl)carbamothioyl]-4-methylbenzamide (CAS 445419-77-2), with molecular formula C15H11ClF2N2OS and molecular weight 340.02 g/mol. IUPAC: 3-chloro-N-[(2,4-difluorophenyl)carbamothioyl]-4-methylbenzamide.
Chemical Property Profile of 3-chloro-N-[(2,4-difluorophenyl)carbamothioyl]-4-methylbenzamide
Property Insights of 3-chloro-N-[(2,4-difluorophenyl)carbamothioyl]-4-methylbenzamide
The XLogP value of 4.05342 indicates that 3-chloro-N-[(2,4-difluorophenyl)carbamothioyl]-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, 3-chloro-N-[(2,4-difluorophenyl)carbamothioyl]-4-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N-[(2,4-difluorophenyl)carbamothioyl]-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 3-chloro-N-[(2,4-difluorophenyl)carbamothioyl]-4-methylbenzamide?
The CAS number of 3-chloro-N-[(2,4-difluorophenyl)carbamothioyl]-4-methylbenzamide is 445419-77-2.
What is the molecular formula of 3-chloro-N-[(2,4-difluorophenyl)carbamothioyl]-4-methylbenzamide?
The molecular formula of 3-chloro-N-[(2,4-difluorophenyl)carbamothioyl]-4-methylbenzamide is C15H11ClF2N2OS.
What is the molecular weight of 3-chloro-N-[(2,4-difluorophenyl)carbamothioyl]-4-methylbenzamide?
The molecular weight of 3-chloro-N-[(2,4-difluorophenyl)carbamothioyl]-4-methylbenzamide is 340.02 g/mol.
Where can I buy 3-chloro-N-[(2,4-difluorophenyl)carbamothioyl]-4-methylbenzamide?
You can request a quote for 3-chloro-N-[(2,4-difluorophenyl)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-chloro-N-[(2,4-difluorophenyl)carbamothioyl]-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-[(2,4-difluorophenyl)carbamothioyl]-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.