RefChem:374441
TL;DR: RefChem:374441 (CAS 62052-54-4) is a chemical compound with molecular formula C16H25NO6S2 and molecular weight 391.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[4-[2-(diethylamino)acetyl]oxy-1,3-dithiolan-2-ylidene]propanedioate
Also Known As: Diethyl (4-(((diethylamino)acetyl)oxy)-1,3-dithiolan-2-ylidene)propanedioate, Propanedioic acid, (4-(((diethylamino)acetyl)oxy)-1,3-dithiolan-2-ylidene)-, diethyl ester, Diethyl {4-[(N,N-diethylglycyl)oxy]-1,3-dithiolan-2-ylidene}propanedioate, diethyl 2-[4-[2-(diethylamino)acetyl]oxy-1,3-dithiolan-2-ylidene]propanedioate, RefChem:374441
| Molecular Formula | C16H25NO6S2 |
|---|---|
| Molecular Weight | 391.11 g/mol |
| LogP | 2.0153 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 391.11234 |
| Heavy Atoms | 25 |
| Complexity | 498.75433 |
Chemical Identifiers
| CAS Number | 62052-54-4 |
|---|---|
| SMILES | CCN(CC)CC(=O)OC1CSC(=C(C(=O)OCC)C(=O)OCC)S1 |
Product Overview
RefChem:374441 (CAS 62052-54-4), with molecular formula C16H25NO6S2 and molecular weight 391.11 g/mol. IUPAC: diethyl 2-[4-[2-(diethylamino)acetyl]oxy-1,3-dithiolan-2-ylidene]propanedioate.
Chemical Property Profile of RefChem:374441
Property Insights of RefChem:374441
The XLogP value of 2.0153 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:374441. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:374441. Following Lipinski's Rule of Five, RefChem:374441 has 0 hydrogen bond donor(s) and 9 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 RefChem:374441?
The CAS number of RefChem:374441 is 62052-54-4.
What is the molecular formula of RefChem:374441?
The molecular formula of RefChem:374441 is C16H25NO6S2.
What is the molecular weight of RefChem:374441?
The molecular weight of RefChem:374441 is 391.11 g/mol.
Where can I buy RefChem:374441?
You can request a quote for RefChem:374441 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:374441?
Yes, KEHONG BIO provides custom synthesis services for RefChem:374441 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.