3N-703
TL;DR: 3N-703 (CAS 338415-87-5) is a chemical compound with molecular formula C21H16ClF3N2O4S and molecular weight 484.05 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] 4-acetamidobenzenesulfonate
Also Known As: 3N-703, 4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenyl 4-(acetylamino)benzenesulfonate, [4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenyl] 4-acetamidobenzenesulfonate, 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}phenyl 4-acetamidobenzene-1-sulfonate, 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}phenyl4-acetamidobenzene-1-sulfonate
| Molecular Formula | C21H16ClF3N2O4S |
|---|---|
| Molecular Weight | 484.05 g/mol |
| LogP | 5.0707 |
| Topological Polar Surface Area | 85.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 484.04715 |
| Heavy Atoms | 32 |
| Complexity | 1229.3948 |
Chemical Identifiers
| CAS Number | 338415-87-5 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
3N-703 (CAS 338415-87-5), with molecular formula C21H16ClF3N2O4S and molecular weight 484.05 g/mol. IUPAC: [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl] 4-acetamidobenzenesulfonate.
Chemical Property Profile of 3N-703
Property Insights of 3N-703
The XLogP value of 5.0707 indicates that 3N-703 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 3N-703. Following Lipinski's Rule of Five, 3N-703 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3N-703?
The CAS number of 3N-703 is 338415-87-5.
What is the molecular formula of 3N-703?
The molecular formula of 3N-703 is C21H16ClF3N2O4S.
What is the molecular weight of 3N-703?
The molecular weight of 3N-703 is 484.05 g/mol.
Where can I buy 3N-703?
You can request a quote for 3N-703 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3N-703?
Yes, KEHONG BIO provides custom synthesis services for 3N-703 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.