Fansimef
TL;DR: Fansimef (CAS 69191-18-0) is a chemical compound with molecular formula C41H44Cl2F6N10O5S and molecular weight 972.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide;(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;hydrochloride
Also Known As: Fansimef, Fansimef R, MSP 4, Mefloquine-sulfadoxine-pyrimethamine, SID:134222809
| Molecular Formula | C41H44Cl2F6N10O5S |
|---|---|
| Molecular Weight | 972.25 g/mol |
| LogP | 8.27 |
| Topological Polar Surface Area | 248.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 9 |
| Exact Mass | 972.2498 |
| Heavy Atoms | 65 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 69191-18-0 |
|---|---|
| SMILES | CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl.COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N.C1CCN[C@H](C1)[C@H](C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O.Cl |
| InChIKey | HQWQVBJUIIJTRE-LKRNKTNVSA-N |
Product Overview
Fansimef (CAS 69191-18-0), with molecular formula C41H44Cl2F6N10O5S and molecular weight 972.25 g/mol. IUPAC: 4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide;(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;hydrochloride.
Chemical Property Profile of Fansimef
Property Insights of Fansimef
The XLogP value of 8.27 indicates that Fansimef is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 248.0 Ų indicates high polarity, suggesting Fansimef may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Fansimef has 7 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Fansimef?
The CAS number of Fansimef is 69191-18-0.
What is the molecular formula of Fansimef?
The molecular formula of Fansimef is C41H44Cl2F6N10O5S.
What is the molecular weight of Fansimef?
The molecular weight of Fansimef is 972.25 g/mol.
Where can I buy Fansimef?
You can request a quote for Fansimef directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fansimef?
Yes, KEHONG BIO provides custom synthesis services for Fansimef and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.