2,4-difluoro-3-methoxylbenzoic acid
TL;DR: 2,4-difluoro-3-methoxylbenzoic acid (CAS 178979-34-5) is a chemical compound with molecular formula C16H19Cl2N3OS2 and molecular weight 403.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methyl] N-methylcarbamothioate
Also Known As: 2,4-difluoro-3-methoxylbenzoic acid, 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-2-(N-methylthiocarbamoyl)oxymethyl-1H-imidazole, O-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methyl] N-methylcarbamothioate, O-({5-[(3,5-Dichlorophenyl)sulfanyl]-1-methyl-4-(propan-2-yl)-1H-imidazol-2-yl}methyl) methylcarbamothioate, O-[[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-methyl-imidazol-2-yl]methyl] N-methylcarbamothioate
| Molecular Formula | C16H19Cl2N3OS2 |
|---|---|
| Molecular Weight | 403.03 g/mol |
| LogP | 5.0224 |
| Topological Polar Surface Area | 39.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.03467 |
| Heavy Atoms | 24 |
| Complexity | 726.914 |
Chemical Identifiers
| CAS Number | 178979-34-5 |
|---|---|
| SMILES | CC(C)C1=C(N(C(=N1)COC(=S)NC)C)SC2=CC(=CC(=C2)Cl)Cl |
Product Overview
2,4-difluoro-3-methoxylbenzoic acid (CAS 178979-34-5), with molecular formula C16H19Cl2N3OS2 and molecular weight 403.03 g/mol. IUPAC: O-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methyl] N-methylcarbamothioate.
Chemical Property Profile of 2,4-difluoro-3-methoxylbenzoic acid
Property Insights of 2,4-difluoro-3-methoxylbenzoic acid
The XLogP value of 5.0224 indicates that 2,4-difluoro-3-methoxylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.08 Ų, 2,4-difluoro-3-methoxylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-difluoro-3-methoxylbenzoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4-difluoro-3-methoxylbenzoic acid?
The CAS number of 2,4-difluoro-3-methoxylbenzoic acid is 178979-34-5.
What is the molecular formula of 2,4-difluoro-3-methoxylbenzoic acid?
The molecular formula of 2,4-difluoro-3-methoxylbenzoic acid is C16H19Cl2N3OS2.
What is the molecular weight of 2,4-difluoro-3-methoxylbenzoic acid?
The molecular weight of 2,4-difluoro-3-methoxylbenzoic acid is 403.03 g/mol.
Where can I buy 2,4-difluoro-3-methoxylbenzoic acid?
You can request a quote for 2,4-difluoro-3-methoxylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-difluoro-3-methoxylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4-difluoro-3-methoxylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.