3N-702
TL;DR: 3N-702 (CAS 338415-85-3) is a chemical compound with molecular formula C23H15ClF3NO3S and molecular weight 477.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl] naphthalene-2-sulfonate
Also Known As: 3N-702, 4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenyl 2-naphthalenesulfonate, [4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenyl] naphthalene-2-sulfonate, 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}phenyl naphthalene-2-sulfonate, 3-chloro-2-[(4-naphthalen-2-ylsulfonyloxyphenyl)methyl]-5-(trifluoromethyl)pyridine
| Molecular Formula | C23H15ClF3NO3S |
|---|---|
| Molecular Weight | 477.04 g/mol |
| LogP | 6.2655 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 477.04132 |
| Heavy Atoms | 32 |
| Complexity | 1388.0286 |
Chemical Identifiers
| CAS Number | 338415-85-3 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)OC3=CC=C(C=C3)CC4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
3N-702 (CAS 338415-85-3), with molecular formula C23H15ClF3NO3S and molecular weight 477.04 g/mol. IUPAC: [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl] naphthalene-2-sulfonate.
Chemical Property Profile of 3N-702
Property Insights of 3N-702
The XLogP value of 6.2655 indicates that 3N-702 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, 3N-702 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3N-702 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 3N-702?
The CAS number of 3N-702 is 338415-85-3.
What is the molecular formula of 3N-702?
The molecular formula of 3N-702 is C23H15ClF3NO3S.
What is the molecular weight of 3N-702?
The molecular weight of 3N-702 is 477.04 g/mol.
Where can I buy 3N-702?
You can request a quote for 3N-702 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3N-702?
Yes, KEHONG BIO provides custom synthesis services for 3N-702 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.