1,3-Cyclobutanedicarboxylic acid, 1-chloro-, dimethyl ester
TL;DR: 1,3-Cyclobutanedicarboxylic acid, 1-chloro-, dimethyl ester (CAS 25596-64-9) is a chemical compound with molecular formula C8H11ClO4 and molecular weight 206.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-chlorocyclobutane-1,3-dicarboxylate
Also Known As: dimethyl 1-chlorocyclobutane-1,3-dicarboxylate, 1,3-Bis(methoxycarbonyl)-3-chlorocyclobutane, 1,3-Cyclobutanedicarboxylic acid, 1-chloro-, dimethyl ester, 1-Chloro-1,3-cyclobutanedicarboxylic acid dimethyl ester, Dimethyl 1-chloro-1,3-cyclobutanedicarboxylate #
| Molecular Formula | C8H11ClO4 |
|---|---|
| Molecular Weight | 206.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.03459 |
| Heavy Atoms | 13 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 25596-64-9 |
|---|---|
| SMILES | COC(=O)C1CC(C1)(C(=O)OC)Cl |
| InChIKey | ZBVRWBMGRMPKPS-UHFFFAOYSA-N |
Product Overview
1,3-Cyclobutanedicarboxylic acid, 1-chloro-, dimethyl ester (CAS 25596-64-9), with molecular formula C8H11ClO4 and molecular weight 206.03 g/mol. IUPAC: dimethyl 1-chlorocyclobutane-1,3-dicarboxylate.
Chemical Property Profile of 1,3-Cyclobutanedicarboxylic acid, 1-chloro-, dimethyl ester
Property Insights of 1,3-Cyclobutanedicarboxylic acid, 1-chloro-, dimethyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclobutanedicarboxylic acid, 1-chloro-, dimethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Cyclobutanedicarboxylic acid, 1-chloro-, dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Cyclobutanedicarboxylic acid, 1-chloro-, dimethyl ester has 0 hydrogen bond donor(s) and 4 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 1,3-Cyclobutanedicarboxylic acid, 1-chloro-, dimethyl ester?
The CAS number of 1,3-Cyclobutanedicarboxylic acid, 1-chloro-, dimethyl ester is 25596-64-9.
What is the molecular formula of 1,3-Cyclobutanedicarboxylic acid, 1-chloro-, dimethyl ester?
The molecular formula of 1,3-Cyclobutanedicarboxylic acid, 1-chloro-, dimethyl ester is C8H11ClO4.
What is the molecular weight of 1,3-Cyclobutanedicarboxylic acid, 1-chloro-, dimethyl ester?
The molecular weight of 1,3-Cyclobutanedicarboxylic acid, 1-chloro-, dimethyl ester is 206.03 g/mol.
Where can I buy 1,3-Cyclobutanedicarboxylic acid, 1-chloro-, dimethyl ester?
You can request a quote for 1,3-Cyclobutanedicarboxylic acid, 1-chloro-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Cyclobutanedicarboxylic acid, 1-chloro-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclobutanedicarboxylic acid, 1-chloro-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.