Propanedioic acid, 1,3-dithiepan-2-ylidene-, diethyl ester
TL;DR: Propanedioic acid, 1,3-dithiepan-2-ylidene-, diethyl ester (CAS 62280-80-2) is a chemical compound with molecular formula C12H18O4S2 and molecular weight 290.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(1,3-dithiepan-2-ylidene)propanedioate
Also Known As: Diethyl 2-(1,3-dithiepan-2-ylidene)propanedioate, Propanedioic acid, 1,3-dithiepan-2-ylidene-, diethyl ester, Diethyl (1,3-dithiepan-2-ylidene)propanedioate, diethyl 2-(1,3-dithiepan-2-ylidene)propane-1,3-dioate, RefChem:374467
| Molecular Formula | C12H18O4S2 |
|---|---|
| Molecular Weight | 290.06 g/mol |
| LogP | 2.5844 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.06464 |
| Heavy Atoms | 18 |
| Complexity | 308.96912 |
Chemical Identifiers
| CAS Number | 62280-80-2 |
|---|---|
| SMILES | CCOC(=O)C(=C1SCCCCS1)C(=O)OCC |
Product Overview
Propanedioic acid, 1,3-dithiepan-2-ylidene-, diethyl ester (CAS 62280-80-2), with molecular formula C12H18O4S2 and molecular weight 290.06 g/mol. IUPAC: diethyl 2-(1,3-dithiepan-2-ylidene)propanedioate.
Chemical Property Profile of Propanedioic acid, 1,3-dithiepan-2-ylidene-, diethyl ester
Property Insights of Propanedioic acid, 1,3-dithiepan-2-ylidene-, diethyl ester
The XLogP value of 2.5844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedioic acid, 1,3-dithiepan-2-ylidene-, diethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Propanedioic acid, 1,3-dithiepan-2-ylidene-, diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanedioic acid, 1,3-dithiepan-2-ylidene-, diethyl 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-dithiepan-2-ylidene-, diethyl ester?
The CAS number of Propanedioic acid, 1,3-dithiepan-2-ylidene-, diethyl ester is 62280-80-2.
What is the molecular formula of Propanedioic acid, 1,3-dithiepan-2-ylidene-, diethyl ester?
The molecular formula of Propanedioic acid, 1,3-dithiepan-2-ylidene-, diethyl ester is C12H18O4S2.
What is the molecular weight of Propanedioic acid, 1,3-dithiepan-2-ylidene-, diethyl ester?
The molecular weight of Propanedioic acid, 1,3-dithiepan-2-ylidene-, diethyl ester is 290.06 g/mol.
Where can I buy Propanedioic acid, 1,3-dithiepan-2-ylidene-, diethyl ester?
You can request a quote for Propanedioic acid, 1,3-dithiepan-2-ylidene-, diethyl 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-dithiepan-2-ylidene-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, 1,3-dithiepan-2-ylidene-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.