3N-700
TL;DR: 3N-700 (CAS 338415-83-1) is a chemical compound with molecular formula C22H17ClF3NO3 and molecular weight 435.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenoxy]methyl]benzoate
Also Known As: 3N-700, Methyl 4-[[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenoxy]methyl]benzoate, methyl 4-[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}phenoxy)methyl]benzoate, methyl 4-[(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenoxy)methyl]benzenecarboxylate, Methyl 4-((4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)methyl)phenoxy)methyl)benzoate
| Molecular Formula | C22H17ClF3NO3 |
|---|---|
| Molecular Weight | 435.08 g/mol |
| LogP | 5.7102 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.0849 |
| Heavy Atoms | 30 |
| Complexity | 1019.2929 |
Chemical Identifiers
| CAS Number | 338415-83-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)CC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
3N-700 (CAS 338415-83-1), with molecular formula C22H17ClF3NO3 and molecular weight 435.08 g/mol. IUPAC: methyl 4-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenoxy]methyl]benzoate.
Chemical Property Profile of 3N-700
Property Insights of 3N-700
The XLogP value of 5.7102 indicates that 3N-700 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.42 Ų, 3N-700 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3N-700 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-700?
The CAS number of 3N-700 is 338415-83-1.
What is the molecular formula of 3N-700?
The molecular formula of 3N-700 is C22H17ClF3NO3.
What is the molecular weight of 3N-700?
The molecular weight of 3N-700 is 435.08 g/mol.
Where can I buy 3N-700?
You can request a quote for 3N-700 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3N-700?
Yes, KEHONG BIO provides custom synthesis services for 3N-700 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.