井冈霉亚基胺A
TL;DR: 井冈霉亚基胺A (CAS 38665-10-0) is a chemical compound with molecular formula C9H11FO3S and molecular weight 218.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
井冈霉亚基胺A
2-fluoroethyl 4-methylbenzenesulfonate
Also Known As: 2-fluoroethyl 4-methylbenzenesulfonate, 2-Fluoroethyl tosylate, fluoroethyltosylate, 2-Fluoroethyltosylate, fluoroethyl tosylate
| Molecular Formula | C9H11FO3S |
|---|---|
| Molecular Weight | 218.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.04129 |
| Heavy Atoms | 14 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 38665-10-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCF |
| InChIKey | XNRDLSNSMTUXBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
井冈霉亚基胺A (CAS 38665-10-0), with molecular formula C9H11FO3S and molecular weight 218.04 g/mol. IUPAC: 2-fluoroethyl 4-methylbenzenesulfonate.
Chemical Property Profile of 井冈霉亚基胺A
Property Insights of 井冈霉亚基胺A
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 井冈霉亚基胺A. With a topological polar surface area (TPSA) of 51.8 Ų, 井冈霉亚基胺A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 井冈霉亚基胺A has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 井冈霉亚基胺A?
The CAS number of 井冈霉亚基胺A is 38665-10-0.
What is the molecular formula of 井冈霉亚基胺A?
The molecular formula of 井冈霉亚基胺A is C9H11FO3S.
What is the molecular weight of 井冈霉亚基胺A?
The molecular weight of 井冈霉亚基胺A is 218.04 g/mol.
Where can I buy 井冈霉亚基胺A?
You can request a quote for 井冈霉亚基胺A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 井冈霉亚基胺A?
Yes, KEHONG BIO provides custom synthesis services for 井冈霉亚基胺A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.