Succinic acid, (2-(trichloromethyl)-1,3-dioxolan-4-yl)methyl ester
TL;DR: Succinic acid, (2-(trichloromethyl)-1,3-dioxolan-4-yl)methyl ester (CAS 7346-91-0) is a chemical compound with molecular formula C9H11Cl3O6 and molecular weight 319.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(trichloromethyl)-1,3-dioxane-4-carbonyl]oxypropanoic acid
Also Known As: 4-19-00-00637 (Beilstein Handbook Reference), 2-(Trichloromethyl)-1,3-dioxolane-4-carbinolacid succinate ester, Succinic acid, (2-(trichloromethyl)-1,3-dioxolan-4-yl)methyl ester, 3-({[2-(trichloromethyl)-1,3-dioxan-4-yl]carbonyl}oxy)propanoic acid, 3-[2-(trichloromethyl)-1,3-dioxane-4-carbonyl]oxypropanoic acid
| Molecular Formula | C9H11Cl3O6 |
|---|---|
| Molecular Weight | 319.96 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.96213 |
| Heavy Atoms | 18 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 7346-91-0 |
|---|---|
| SMILES | C1COC(OC1C(=O)OCCC(=O)O)C(Cl)(Cl)Cl |
| InChIKey | IXJMZYQUAZSHBR-UHFFFAOYSA-N |
Product Overview
Succinic acid, (2-(trichloromethyl)-1,3-dioxolan-4-yl)methyl ester (CAS 7346-91-0), with molecular formula C9H11Cl3O6 and molecular weight 319.96 g/mol. IUPAC: 3-[2-(trichloromethyl)-1,3-dioxane-4-carbonyl]oxypropanoic acid.
Chemical Property Profile of Succinic acid, (2-(trichloromethyl)-1,3-dioxolan-4-yl)methyl ester
Property Insights of Succinic acid, (2-(trichloromethyl)-1,3-dioxolan-4-yl)methyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Succinic acid, (2-(trichloromethyl)-1,3-dioxolan-4-yl)methyl ester. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Succinic acid, (2-(trichloromethyl)-1,3-dioxolan-4-yl)methyl ester. Following Lipinski's Rule of Five, Succinic acid, (2-(trichloromethyl)-1,3-dioxolan-4-yl)methyl ester has 1 hydrogen bond donor(s) and 6 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 Succinic acid, (2-(trichloromethyl)-1,3-dioxolan-4-yl)methyl ester?
The CAS number of Succinic acid, (2-(trichloromethyl)-1,3-dioxolan-4-yl)methyl ester is 7346-91-0.
What is the molecular formula of Succinic acid, (2-(trichloromethyl)-1,3-dioxolan-4-yl)methyl ester?
The molecular formula of Succinic acid, (2-(trichloromethyl)-1,3-dioxolan-4-yl)methyl ester is C9H11Cl3O6.
What is the molecular weight of Succinic acid, (2-(trichloromethyl)-1,3-dioxolan-4-yl)methyl ester?
The molecular weight of Succinic acid, (2-(trichloromethyl)-1,3-dioxolan-4-yl)methyl ester is 319.96 g/mol.
Where can I buy Succinic acid, (2-(trichloromethyl)-1,3-dioxolan-4-yl)methyl ester?
You can request a quote for Succinic acid, (2-(trichloromethyl)-1,3-dioxolan-4-yl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Succinic acid, (2-(trichloromethyl)-1,3-dioxolan-4-yl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Succinic acid, (2-(trichloromethyl)-1,3-dioxolan-4-yl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.