Popanedioic acid, (4-((1-pyrrolidinylacetyl)oxy)-1,3-dithiolan-2-ylidene)-, bis(1-methylethyl) ester
TL;DR: Popanedioic acid, (4-((1-pyrrolidinylacetyl)oxy)-1,3-dithiolan-2-ylidene)-, bis(1-methylethyl) ester (CAS 62052-67-9) is a chemical compound with molecular formula C18H27NO6S2 and molecular weight 417.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-propan-2-yl 3-O-prop-1-en-2-yl (2E)-2-[4-(1-hydroxy-1-pyrrolidin-1-ylethoxy)-1,3-dithiolan-2-ylidene]propanedioate
Also Known As: Popanedioic acid, (4-((1-pyrrolidinylacetyl)oxy)-1,3-dithiolan-2-ylidene)-, bis(1-methylethyl) ester, 1-O-propan-2-yl 3-O-prop-1-en-2-yl (2E)-2-[4-(1-hydroxy-1-pyrrolidin-1-ylethoxy)-1,3-dithiolan-2-ylidene]propanedioate, RefChem:1096507
| Molecular Formula | C18H27NO6S2 |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | 2.8109 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.128 |
| Heavy Atoms | 27 |
| Complexity | 625.3414 |
Chemical Identifiers
| CAS Number | 62052-67-9 |
|---|---|
| SMILES | CC(C)OC(=O)/C(=C\1/SCC(S1)OC(C)(N2CCCC2)O)/C(=O)OC(=C)C |
Product Overview
Popanedioic acid, (4-((1-pyrrolidinylacetyl)oxy)-1,3-dithiolan-2-ylidene)-, bis(1-methylethyl) ester (CAS 62052-67-9), with molecular formula C18H27NO6S2 and molecular weight 417.13 g/mol. IUPAC: 1-O-propan-2-yl 3-O-prop-1-en-2-yl (2E)-2-[4-(1-hydroxy-1-pyrrolidin-1-ylethoxy)-1,3-dithiolan-2-ylidene]propanedioate.
Chemical Property Profile of Popanedioic acid, (4-((1-pyrrolidinylacetyl)oxy)-1,3-dithiolan-2-ylidene)-, bis(1-methylethyl) ester
Property Insights of Popanedioic acid, (4-((1-pyrrolidinylacetyl)oxy)-1,3-dithiolan-2-ylidene)-, bis(1-methylethyl) ester
The XLogP value of 2.8109 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Popanedioic acid, (4-((1-pyrrolidinylacetyl)oxy)-1,3-dithiolan-2-ylidene)-, bis(1-methylethyl) ester. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Popanedioic acid, (4-((1-pyrrolidinylacetyl)oxy)-1,3-dithiolan-2-ylidene)-, bis(1-methylethyl) ester. Following Lipinski's Rule of Five, Popanedioic acid, (4-((1-pyrrolidinylacetyl)oxy)-1,3-dithiolan-2-ylidene)-, bis(1-methylethyl) ester has 1 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 Popanedioic acid, (4-((1-pyrrolidinylacetyl)oxy)-1,3-dithiolan-2-ylidene)-, bis(1-methylethyl) ester?
The CAS number of Popanedioic acid, (4-((1-pyrrolidinylacetyl)oxy)-1,3-dithiolan-2-ylidene)-, bis(1-methylethyl) ester is 62052-67-9.
What is the molecular formula of Popanedioic acid, (4-((1-pyrrolidinylacetyl)oxy)-1,3-dithiolan-2-ylidene)-, bis(1-methylethyl) ester?
The molecular formula of Popanedioic acid, (4-((1-pyrrolidinylacetyl)oxy)-1,3-dithiolan-2-ylidene)-, bis(1-methylethyl) ester is C18H27NO6S2.
What is the molecular weight of Popanedioic acid, (4-((1-pyrrolidinylacetyl)oxy)-1,3-dithiolan-2-ylidene)-, bis(1-methylethyl) ester?
The molecular weight of Popanedioic acid, (4-((1-pyrrolidinylacetyl)oxy)-1,3-dithiolan-2-ylidene)-, bis(1-methylethyl) ester is 417.13 g/mol.
Where can I buy Popanedioic acid, (4-((1-pyrrolidinylacetyl)oxy)-1,3-dithiolan-2-ylidene)-, bis(1-methylethyl) ester?
You can request a quote for Popanedioic acid, (4-((1-pyrrolidinylacetyl)oxy)-1,3-dithiolan-2-ylidene)-, bis(1-methylethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Popanedioic acid, (4-((1-pyrrolidinylacetyl)oxy)-1,3-dithiolan-2-ylidene)-, bis(1-methylethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Popanedioic acid, (4-((1-pyrrolidinylacetyl)oxy)-1,3-dithiolan-2-ylidene)-, bis(1-methylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.