![Diethyl 2,3-bis[(4-methylphenyl)sulfanyl]butanedioate structure](/static/products/5746/5746-17-8.webp)
Diethyl 2,3-bis[(4-methylphenyl)sulfanyl]butanedioate
TL;DR: Diethyl 2,3-bis[(4-methylphenyl)sulfanyl]butanedioate (CAS 5746-17-8) is a chemical compound with molecular formula C22H26O4S2 and molecular weight 418.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,3-bis[(4-methylphenyl)sulfanyl]butanedioate
Also Known As: 2,DIETHYL ESTER, 2, DIETHYL ESTER, diethyl 2,3-bis[(4-methylphenyl)sulfanyl]butanedioate, Butanedioic acid,2,3-bis[(4-methylphenyl)thio]-, 1,4-diethyl ester
| Molecular Formula | C22H26O4S2 |
|---|---|
| Molecular Weight | 418.13 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 418.12726 |
| Heavy Atoms | 28 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 5746-17-8 |
|---|---|
| SMILES | CCOC(=O)C(C(C(=O)OCC)SC1=CC=C(C=C1)C)SC2=CC=C(C=C2)C |
| InChIKey | QVALTQGQDJPNDF-UHFFFAOYSA-N |
Product Overview
Diethyl 2,3-bis[(4-methylphenyl)sulfanyl]butanedioate (CAS 5746-17-8), with molecular formula C22H26O4S2 and molecular weight 418.13 g/mol. IUPAC: diethyl 2,3-bis[(4-methylphenyl)sulfanyl]butanedioate.
Chemical Property Profile of Diethyl 2,3-bis[(4-methylphenyl)sulfanyl]butanedioate
Property Insights of Diethyl 2,3-bis[(4-methylphenyl)sulfanyl]butanedioate
The XLogP value of 6.0 indicates that Diethyl 2,3-bis[(4-methylphenyl)sulfanyl]butanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2,3-bis[(4-methylphenyl)sulfanyl]butanedioate. Following Lipinski's Rule of Five, Diethyl 2,3-bis[(4-methylphenyl)sulfanyl]butanedioate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl 2,3-bis[(4-methylphenyl)sulfanyl]butanedioate?
The CAS number of Diethyl 2,3-bis[(4-methylphenyl)sulfanyl]butanedioate is 5746-17-8.
What is the molecular formula of Diethyl 2,3-bis[(4-methylphenyl)sulfanyl]butanedioate?
The molecular formula of Diethyl 2,3-bis[(4-methylphenyl)sulfanyl]butanedioate is C22H26O4S2.
What is the molecular weight of Diethyl 2,3-bis[(4-methylphenyl)sulfanyl]butanedioate?
The molecular weight of Diethyl 2,3-bis[(4-methylphenyl)sulfanyl]butanedioate is 418.13 g/mol.
Where can I buy Diethyl 2,3-bis[(4-methylphenyl)sulfanyl]butanedioate?
You can request a quote for Diethyl 2,3-bis[(4-methylphenyl)sulfanyl]butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,3-bis[(4-methylphenyl)sulfanyl]butanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,3-bis[(4-methylphenyl)sulfanyl]butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.