Propanedioic acid, 1,3-dithiol-2-ylidene-, methyl 2-methylpropyl ester
TL;DR: Propanedioic acid, 1,3-dithiol-2-ylidene-, methyl 2-methylpropyl ester (CAS 59937-40-5) is a chemical compound with molecular formula C11H14O4S2 and molecular weight 274.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-methyl 3-O-(2-methylpropyl) 2-(1,3-dithiol-2-ylidene)propanedioate
Also Known As: Propanedioic acid, 1,3-dithiol-2-ylidene-, methyl 2-methylpropyl ester, Methyl 2-methylpropyl (2H-1,3-dithiol-2-ylidene)propanedioate, Methyl 2-methylpropyl 2-(1,3-dithiol-2-ylidene)propanedioate, 1-O-methyl 3-O-(2-methylpropyl) 2-(1,3-dithiol-2-ylidene)propanedioate, Propanedioic acid,1,3-dithiol-2-ylidene-,methyl 2-methylpropyl ester
| Molecular Formula | C11H14O4S2 |
|---|---|
| Molecular Weight | 274.03 g/mol |
| LogP | 2.5214 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.03336 |
| Heavy Atoms | 17 |
| Complexity | 361.66772 |
Chemical Identifiers
| CAS Number | 59937-40-5 |
|---|---|
| SMILES | CC(C)COC(=O)C(=C1SC=CS1)C(=O)OC |
Product Overview
Propanedioic acid, 1,3-dithiol-2-ylidene-, methyl 2-methylpropyl ester (CAS 59937-40-5), with molecular formula C11H14O4S2 and molecular weight 274.03 g/mol. IUPAC: 1-O-methyl 3-O-(2-methylpropyl) 2-(1,3-dithiol-2-ylidene)propanedioate.
Chemical Property Profile of Propanedioic acid, 1,3-dithiol-2-ylidene-, methyl 2-methylpropyl ester
Property Insights of Propanedioic acid, 1,3-dithiol-2-ylidene-, methyl 2-methylpropyl ester
The XLogP value of 2.5214 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedioic acid, 1,3-dithiol-2-ylidene-, methyl 2-methylpropyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Propanedioic acid, 1,3-dithiol-2-ylidene-, methyl 2-methylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanedioic acid, 1,3-dithiol-2-ylidene-, methyl 2-methylpropyl ester has 0 hydrogen bond donor(s) and 6 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 Propanedioic acid, 1,3-dithiol-2-ylidene-, methyl 2-methylpropyl ester?
The CAS number of Propanedioic acid, 1,3-dithiol-2-ylidene-, methyl 2-methylpropyl ester is 59937-40-5.
What is the molecular formula of Propanedioic acid, 1,3-dithiol-2-ylidene-, methyl 2-methylpropyl ester?
The molecular formula of Propanedioic acid, 1,3-dithiol-2-ylidene-, methyl 2-methylpropyl ester is C11H14O4S2.
What is the molecular weight of Propanedioic acid, 1,3-dithiol-2-ylidene-, methyl 2-methylpropyl ester?
The molecular weight of Propanedioic acid, 1,3-dithiol-2-ylidene-, methyl 2-methylpropyl ester is 274.03 g/mol.
Where can I buy Propanedioic acid, 1,3-dithiol-2-ylidene-, methyl 2-methylpropyl ester?
You can request a quote for Propanedioic acid, 1,3-dithiol-2-ylidene-, methyl 2-methylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedioic acid, 1,3-dithiol-2-ylidene-, methyl 2-methylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, 1,3-dithiol-2-ylidene-, methyl 2-methylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.