4N-345S
TL;DR: 4N-345S (CAS 338749-64-7) is a chemical compound with molecular formula C25H25ClF3NO4S and molecular weight 527.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-5-(4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl 3-chloro-2,2-dimethylpropanoate
Also Known As: 4N-345S, {2-methyl-5-[4-(methylsulfonyl)phenyl]-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methyl 3-chloro-2,2-dimethylpropanoate, [2-methyl-5-(4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl 3-chloro-2,2-dimethylpropanoate, [5-(4-methanesulfonylphenyl)-2-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]methyl 3-chloro-2,2-dimethylpropanoate, [5-(4-methanesulfonylphenyl)-2-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]methyl3-chloro-2,2-dimethylpropanoate
| Molecular Formula | C25H25ClF3NO4S |
|---|---|
| Molecular Weight | 527.11 g/mol |
| LogP | 6.18322 |
| Topological Polar Surface Area | 65.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 527.1145 |
| Heavy Atoms | 35 |
| Complexity | 1344.0217 |
Chemical Identifiers
| CAS Number | 338749-64-7 |
|---|---|
| SMILES | CC1=C(C=C(N1C2=CC=CC(=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C)COC(=O)C(C)(C)CCl |
Product Overview
4N-345S (CAS 338749-64-7), with molecular formula C25H25ClF3NO4S and molecular weight 527.11 g/mol. IUPAC: [2-methyl-5-(4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl 3-chloro-2,2-dimethylpropanoate.
Chemical Property Profile of 4N-345S
Property Insights of 4N-345S
The XLogP value of 6.18322 indicates that 4N-345S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 4N-345S. Following Lipinski's Rule of Five, 4N-345S has 0 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 4N-345S?
The CAS number of 4N-345S is 338749-64-7.
What is the molecular formula of 4N-345S?
The molecular formula of 4N-345S is C25H25ClF3NO4S.
What is the molecular weight of 4N-345S?
The molecular weight of 4N-345S is 527.11 g/mol.
Where can I buy 4N-345S?
You can request a quote for 4N-345S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4N-345S?
Yes, KEHONG BIO provides custom synthesis services for 4N-345S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.