7N-576S
TL;DR: 7N-576S (CAS 339019-67-9) is a chemical compound with molecular formula C15H13F3N2O2S and molecular weight 342.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-[3-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
Also Known As: 7N-576S, 4-methyl-2-[3-(trifluoromethyl)benzenesulfonyl]-5H,6H,7H-cyclopenta[d]pyrimidine, 4-methyl-2-{[3-(trifluoromethyl)phenyl]sulfonyl}-6,7-dihydro-5H-cyclopenta[d]pyrimidine, 4-methyl-2-[3-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
| Molecular Formula | C15H13F3N2O2S |
|---|---|
| Molecular Weight | 342.06 g/mol |
| LogP | 3.12532 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.06497 |
| Heavy Atoms | 23 |
| Complexity | 876.7761 |
Chemical Identifiers
| CAS Number | 339019-67-9 |
|---|---|
| SMILES | CC1=C2CCCC2=NC(=N1)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F |
Product Overview
7N-576S (CAS 339019-67-9), with molecular formula C15H13F3N2O2S and molecular weight 342.06 g/mol. IUPAC: 4-methyl-2-[3-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
Chemical Property Profile of 7N-576S
Property Insights of 7N-576S
The XLogP value of 3.12532 indicates that 7N-576S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.92 Ų, 7N-576S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7N-576S has 0 hydrogen bond donor(s) and 4 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 7N-576S?
The CAS number of 7N-576S is 339019-67-9.
What is the molecular formula of 7N-576S?
The molecular formula of 7N-576S is C15H13F3N2O2S.
What is the molecular weight of 7N-576S?
The molecular weight of 7N-576S is 342.06 g/mol.
Where can I buy 7N-576S?
You can request a quote for 7N-576S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7N-576S?
Yes, KEHONG BIO provides custom synthesis services for 7N-576S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.