4N-380S
TL;DR: 4N-380S (CAS 338749-77-2) is a chemical compound with molecular formula C21H14ClF6NO3S and molecular weight 509.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]-2,2,2-trifluoroethanone
Also Known As: 4N-380S, 1-{1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl}-2,2,2-trifluoro-1-ethanone, 1-[1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]-2,2,2-trifluoroethanone, 1-{1-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methanesulfonylphenyl)-2-methyl-1H-pyrrol-3-yl}-2,2,2-trifluoroethan-1-one, 1-(1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-2-METHYL-5-[4-(METHYLSULFONYL)PHENYL]-1H-PYRROL-3-YL)-2,2,2-TRIFLUORO-1-ETHANONE
| Molecular Formula | C21H14ClF6NO3S |
|---|---|
| Molecular Weight | 509.03 g/mol |
| LogP | 6.27342 |
| Topological Polar Surface Area | 56.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 509.02872 |
| Heavy Atoms | 33 |
| Complexity | 1340.0452 |
Chemical Identifiers
| CAS Number | 338749-77-2 |
|---|---|
| SMILES | CC1=C(C=C(N1C2=C(C=CC(=C2)C(F)(F)F)Cl)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)C(F)(F)F |
Product Overview
4N-380S (CAS 338749-77-2), with molecular formula C21H14ClF6NO3S and molecular weight 509.03 g/mol. IUPAC: 1-[1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]-2,2,2-trifluoroethanone.
Chemical Property Profile of 4N-380S
Property Insights of 4N-380S
The XLogP value of 6.27342 indicates that 4N-380S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.14 Ų, 4N-380S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4N-380S has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4N-380S?
The CAS number of 4N-380S is 338749-77-2.
What is the molecular formula of 4N-380S?
The molecular formula of 4N-380S is C21H14ClF6NO3S.
What is the molecular weight of 4N-380S?
The molecular weight of 4N-380S is 509.03 g/mol.
Where can I buy 4N-380S?
You can request a quote for 4N-380S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4N-380S?
Yes, KEHONG BIO provides custom synthesis services for 4N-380S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.