Diisopropyl 4-diethylaminoacetoxy-1,3-dithiolan-2-ylidene malonate
TL;DR: Diisopropyl 4-diethylaminoacetoxy-1,3-dithiolan-2-ylidene malonate (CAS 62052-66-8) is a chemical compound with molecular formula C18H29NO6S2 and molecular weight 419.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropan-2-yl 2-[4-[2-(diethylamino)acetyl]oxy-1,3-dithiolan-2-ylidene]propanedioate
Also Known As: Diisopropyl 4-diethylaminoacetoxy-1,3-dithiolan-2-ylidene malonate, Popanedioic acid, (4-((diethylamino)acetyl)oxy)-1,3-dithiolan-2-ylidene)-, bis(1-methylethyl) ester, diisopropyl 4-diethylaminoacetoxy- 1,3-dithiolan-2-ylidene malonate, Di(propan-2-yl) {4-[(N,N-diethylglycyl)oxy]-1,3-dithiolan-2-ylidene}propanedioate, Dipropan-2-yl {4-[(N,N-diethylglycyl)oxy]-1,3-dithiolan-2-ylidene}propanedioate
| Molecular Formula | C18H29NO6S2 |
|---|---|
| Molecular Weight | 419.14 g/mol |
| LogP | 2.7923 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 419.14362 |
| Heavy Atoms | 27 |
| Complexity | 548.19916 |
Chemical Identifiers
| CAS Number | 62052-66-8 |
|---|---|
| SMILES | CCN(CC)CC(=O)OC1CSC(=C(C(=O)OC(C)C)C(=O)OC(C)C)S1 |
Product Overview
Diisopropyl 4-diethylaminoacetoxy-1,3-dithiolan-2-ylidene malonate (CAS 62052-66-8), with molecular formula C18H29NO6S2 and molecular weight 419.14 g/mol. IUPAC: dipropan-2-yl 2-[4-[2-(diethylamino)acetyl]oxy-1,3-dithiolan-2-ylidene]propanedioate.
Chemical Property Profile of Diisopropyl 4-diethylaminoacetoxy-1,3-dithiolan-2-ylidene malonate
Property Insights of Diisopropyl 4-diethylaminoacetoxy-1,3-dithiolan-2-ylidene malonate
The XLogP value of 2.7923 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diisopropyl 4-diethylaminoacetoxy-1,3-dithiolan-2-ylidene malonate. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for Diisopropyl 4-diethylaminoacetoxy-1,3-dithiolan-2-ylidene malonate. Following Lipinski's Rule of Five, Diisopropyl 4-diethylaminoacetoxy-1,3-dithiolan-2-ylidene malonate 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 Diisopropyl 4-diethylaminoacetoxy-1,3-dithiolan-2-ylidene malonate?
The CAS number of Diisopropyl 4-diethylaminoacetoxy-1,3-dithiolan-2-ylidene malonate is 62052-66-8.
What is the molecular formula of Diisopropyl 4-diethylaminoacetoxy-1,3-dithiolan-2-ylidene malonate?
The molecular formula of Diisopropyl 4-diethylaminoacetoxy-1,3-dithiolan-2-ylidene malonate is C18H29NO6S2.
What is the molecular weight of Diisopropyl 4-diethylaminoacetoxy-1,3-dithiolan-2-ylidene malonate?
The molecular weight of Diisopropyl 4-diethylaminoacetoxy-1,3-dithiolan-2-ylidene malonate is 419.14 g/mol.
Where can I buy Diisopropyl 4-diethylaminoacetoxy-1,3-dithiolan-2-ylidene malonate?
You can request a quote for Diisopropyl 4-diethylaminoacetoxy-1,3-dithiolan-2-ylidene malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisopropyl 4-diethylaminoacetoxy-1,3-dithiolan-2-ylidene malonate?
Yes, KEHONG BIO provides custom synthesis services for Diisopropyl 4-diethylaminoacetoxy-1,3-dithiolan-2-ylidene malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.