Diisopropyl 4-chloroacetoxy-1,3-dithiolan-2-ylidene malonate
TL;DR: Diisopropyl 4-chloroacetoxy-1,3-dithiolan-2-ylidene malonate (CAS 62052-58-8) is a chemical compound with molecular formula C14H19ClO6S2 and molecular weight 382.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropan-2-yl 2-[4-(2-chloroacetyl)oxy-1,3-dithiolan-2-ylidene]propanedioate
Also Known As: Diisopropyl 4-chloroacetoxy-1,3-dithiolan-2-ylidene malonate, Bis(1-methylethyl) (4-((chloroacetyl)oxy)-1,3-dithiolan-2-ylidene)propanedioate, Propanedioic acid, (4-((chloroacetyl)oxy)-1,3-dithiolan-2-ylidene)-, bis(1-methylethyl) ester, Dipropan-2-yl {4-[(chloroacetyl)oxy]-1,3-dithiolan-2-ylidene}propanedioate, Di(propan-2-yl) {4-[(chloroacetyl)oxy]-1,3-dithiolan-2-ylidene}propanedioate
| Molecular Formula | C14H19ClO6S2 |
|---|---|
| Molecular Weight | 382.03 g/mol |
| LogP | 2.6893 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.03116 |
| Heavy Atoms | 23 |
| Complexity | 479.49597 |
Chemical Identifiers
| CAS Number | 62052-58-8 |
|---|---|
| SMILES | CC(C)OC(=O)C(=C1SCC(S1)OC(=O)CCl)C(=O)OC(C)C |
Product Overview
Diisopropyl 4-chloroacetoxy-1,3-dithiolan-2-ylidene malonate (CAS 62052-58-8), with molecular formula C14H19ClO6S2 and molecular weight 382.03 g/mol. IUPAC: dipropan-2-yl 2-[4-(2-chloroacetyl)oxy-1,3-dithiolan-2-ylidene]propanedioate.
Chemical Property Profile of Diisopropyl 4-chloroacetoxy-1,3-dithiolan-2-ylidene malonate
Property Insights of Diisopropyl 4-chloroacetoxy-1,3-dithiolan-2-ylidene malonate
The XLogP value of 2.6893 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diisopropyl 4-chloroacetoxy-1,3-dithiolan-2-ylidene malonate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Diisopropyl 4-chloroacetoxy-1,3-dithiolan-2-ylidene malonate. Following Lipinski's Rule of Five, Diisopropyl 4-chloroacetoxy-1,3-dithiolan-2-ylidene malonate has 0 hydrogen bond donor(s) and 8 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-chloroacetoxy-1,3-dithiolan-2-ylidene malonate?
The CAS number of Diisopropyl 4-chloroacetoxy-1,3-dithiolan-2-ylidene malonate is 62052-58-8.
What is the molecular formula of Diisopropyl 4-chloroacetoxy-1,3-dithiolan-2-ylidene malonate?
The molecular formula of Diisopropyl 4-chloroacetoxy-1,3-dithiolan-2-ylidene malonate is C14H19ClO6S2.
What is the molecular weight of Diisopropyl 4-chloroacetoxy-1,3-dithiolan-2-ylidene malonate?
The molecular weight of Diisopropyl 4-chloroacetoxy-1,3-dithiolan-2-ylidene malonate is 382.03 g/mol.
Where can I buy Diisopropyl 4-chloroacetoxy-1,3-dithiolan-2-ylidene malonate?
You can request a quote for Diisopropyl 4-chloroacetoxy-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-chloroacetoxy-1,3-dithiolan-2-ylidene malonate?
Yes, KEHONG BIO provides custom synthesis services for Diisopropyl 4-chloroacetoxy-1,3-dithiolan-2-ylidene malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.