Einecs 254-918-3
TL;DR: Einecs 254-918-3 (CAS 40434-87-5) is a chemical compound with molecular formula C16H18O4S and molecular weight 306.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
formaldehyde;(2-hydroxy-2-phenylethyl) 4-methylbenzenesulfinate
Also Known As: EINECS 254-918-3, (R)-(-)-1-Phenyl-1,2-ethanediol 2-tosylate, 2-Hydroxy-2-phenylethyl (R-(-))-p-toluenesulphonate, formaldehyde; (2-hydroxy-2-phenyl-ethyl) 4-methylbenzenesulfinate, formaldehyde; (2-hydroxy-2-phenylethyl) 4-methylbenzenesulfinate
| Molecular Formula | C16H18O4S |
|---|---|
| Molecular Weight | 306.09 g/mol |
| LogP | 2.58292 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.0926 |
| Heavy Atoms | 21 |
| Complexity | 554.24945 |
Chemical Identifiers
| CAS Number | 40434-87-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)OCC(C2=CC=CC=C2)O.C=O |
Product Overview
Einecs 254-918-3 (CAS 40434-87-5), with molecular formula C16H18O4S and molecular weight 306.09 g/mol. IUPAC: formaldehyde;(2-hydroxy-2-phenylethyl) 4-methylbenzenesulfinate.
Chemical Property Profile of Einecs 254-918-3
Property Insights of Einecs 254-918-3
The XLogP value of 2.58292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 254-918-3. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 254-918-3. Following Lipinski's Rule of Five, Einecs 254-918-3 has 1 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 Einecs 254-918-3?
The CAS number of Einecs 254-918-3 is 40434-87-5.
What is the molecular formula of Einecs 254-918-3?
The molecular formula of Einecs 254-918-3 is C16H18O4S.
What is the molecular weight of Einecs 254-918-3?
The molecular weight of Einecs 254-918-3 is 306.09 g/mol.
Where can I buy Einecs 254-918-3?
You can request a quote for Einecs 254-918-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 254-918-3?
Yes, KEHONG BIO provides custom synthesis services for Einecs 254-918-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.