Diisopropyl 4-benzyloxy-1,3-dithiolan-2-ylidene malonate
TL;DR: Diisopropyl 4-benzyloxy-1,3-dithiolan-2-ylidene malonate (CAS 62052-59-9) is a chemical compound with molecular formula C19H22O6S2 and molecular weight 410.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropan-2-yl 2-(4-benzoyloxy-1,3-dithiolan-2-ylidene)propanedioate
Also Known As: Diisopropyl 4-benzyloxy-1,3-dithiolan-2-ylidene malonate, Bis(1-methylethyl) (4-(benzoyloxy)-1,3-dithiolan-2-ylidene)propanedioate, Propanedioic acid, (4-(benzoyloxy)-1,3-dithiolan-2-ylidene)-, bis(1-methylethyl) ester, Di(propan-2-yl) [4-(benzoyloxy)-1,3-dithiolan-2-ylidene]propanedioate, Dipropan-2-yl [4-(benzoyloxy)-1,3-dithiolan-2-ylidene]propanedioate
| Molecular Formula | C19H22O6S2 |
|---|---|
| Molecular Weight | 410.09 g/mol |
| LogP | 3.7643 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.0858 |
| Heavy Atoms | 27 |
| Complexity | 702.9752 |
Chemical Identifiers
| CAS Number | 62052-59-9 |
|---|---|
| SMILES | CC(C)OC(=O)C(=C1SCC(S1)OC(=O)C2=CC=CC=C2)C(=O)OC(C)C |
Product Overview
Diisopropyl 4-benzyloxy-1,3-dithiolan-2-ylidene malonate (CAS 62052-59-9), with molecular formula C19H22O6S2 and molecular weight 410.09 g/mol. IUPAC: dipropan-2-yl 2-(4-benzoyloxy-1,3-dithiolan-2-ylidene)propanedioate.
Chemical Property Profile of Diisopropyl 4-benzyloxy-1,3-dithiolan-2-ylidene malonate
Property Insights of Diisopropyl 4-benzyloxy-1,3-dithiolan-2-ylidene malonate
The XLogP value of 3.7643 indicates that Diisopropyl 4-benzyloxy-1,3-dithiolan-2-ylidene malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Diisopropyl 4-benzyloxy-1,3-dithiolan-2-ylidene malonate. Following Lipinski's Rule of Five, Diisopropyl 4-benzyloxy-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-benzyloxy-1,3-dithiolan-2-ylidene malonate?
The CAS number of Diisopropyl 4-benzyloxy-1,3-dithiolan-2-ylidene malonate is 62052-59-9.
What is the molecular formula of Diisopropyl 4-benzyloxy-1,3-dithiolan-2-ylidene malonate?
The molecular formula of Diisopropyl 4-benzyloxy-1,3-dithiolan-2-ylidene malonate is C19H22O6S2.
What is the molecular weight of Diisopropyl 4-benzyloxy-1,3-dithiolan-2-ylidene malonate?
The molecular weight of Diisopropyl 4-benzyloxy-1,3-dithiolan-2-ylidene malonate is 410.09 g/mol.
Where can I buy Diisopropyl 4-benzyloxy-1,3-dithiolan-2-ylidene malonate?
You can request a quote for Diisopropyl 4-benzyloxy-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-benzyloxy-1,3-dithiolan-2-ylidene malonate?
Yes, KEHONG BIO provides custom synthesis services for Diisopropyl 4-benzyloxy-1,3-dithiolan-2-ylidene malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.