3H-090
TL;DR: 3H-090 (CAS 338407-75-3) is a chemical compound with molecular formula C13H7ClF6N2O2S2 and molecular weight 435.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-1,1,1-trifluoromethanesulfonamide
Also Known As: 3H-090, N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}phenyl)(trifluoro)methanesulfonamide, N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}phenyl)-1,1,1-trifluoromethanesulfonamide, N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]-1,1,1-trifluoromethanesulfonamide, N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]-1,1,1-trifluoro-methanesulfonamide
| Molecular Formula | C13H7ClF6N2O2S2 |
|---|---|
| Molecular Weight | 435.95 g/mol |
| LogP | 5.1665 |
| Topological Polar Surface Area | 59.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.95416 |
| Heavy Atoms | 26 |
| Complexity | 915.58075 |
Chemical Identifiers
| CAS Number | 338407-75-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NS(=O)(=O)C(F)(F)F)SC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
3H-090 (CAS 338407-75-3), with molecular formula C13H7ClF6N2O2S2 and molecular weight 435.95 g/mol. IUPAC: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-1,1,1-trifluoromethanesulfonamide.
Chemical Property Profile of 3H-090
Property Insights of 3H-090
The XLogP value of 5.1665 indicates that 3H-090 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.06 Ų, 3H-090 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-090 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 3H-090?
The CAS number of 3H-090 is 338407-75-3.
What is the molecular formula of 3H-090?
The molecular formula of 3H-090 is C13H7ClF6N2O2S2.
What is the molecular weight of 3H-090?
The molecular weight of 3H-090 is 435.95 g/mol.
Where can I buy 3H-090?
You can request a quote for 3H-090 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-090?
Yes, KEHONG BIO provides custom synthesis services for 3H-090 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.