Butanedioic acid, chloro-, bis(1-methylpropyl) ester
TL;DR: Butanedioic acid, chloro-, bis(1-methylpropyl) ester (CAS 57983-51-4) is a chemical compound with molecular formula C12H21ClO4 and molecular weight 264.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutan-2-yl 2-chlorobutanedioate
Also Known As: 2-Chlorobutanedioicacidbis ester, Di(sec-butyl) 2-chlorosuccinate, dibutan-2-yl 2-chlorobutanedioate, Di(sec-butyl) 2-chlorosuccinate #, 1,4-bis(butan-2-yl) 2-chlorobutanedioate
| Molecular Formula | C12H21ClO4 |
|---|---|
| Molecular Weight | 264.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 264.11282 |
| Heavy Atoms | 17 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 57983-51-4 |
|---|---|
| SMILES | CCC(C)OC(=O)CC(C(=O)OC(C)CC)Cl |
| InChIKey | DDFOEZUAHKPWAK-UHFFFAOYSA-N |
Product Overview
Butanedioic acid, chloro-, bis(1-methylpropyl) ester (CAS 57983-51-4), with molecular formula C12H21ClO4 and molecular weight 264.11 g/mol. IUPAC: dibutan-2-yl 2-chlorobutanedioate.
Chemical Property Profile of Butanedioic acid, chloro-, bis(1-methylpropyl) ester
Property Insights of Butanedioic acid, chloro-, bis(1-methylpropyl) ester
The XLogP value of 3.2 indicates that Butanedioic acid, chloro-, bis(1-methylpropyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Butanedioic acid, chloro-, bis(1-methylpropyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanedioic acid, chloro-, bis(1-methylpropyl) 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 Butanedioic acid, chloro-, bis(1-methylpropyl) ester?
The CAS number of Butanedioic acid, chloro-, bis(1-methylpropyl) ester is 57983-51-4.
What is the molecular formula of Butanedioic acid, chloro-, bis(1-methylpropyl) ester?
The molecular formula of Butanedioic acid, chloro-, bis(1-methylpropyl) ester is C12H21ClO4.
What is the molecular weight of Butanedioic acid, chloro-, bis(1-methylpropyl) ester?
The molecular weight of Butanedioic acid, chloro-, bis(1-methylpropyl) ester is 264.11 g/mol.
Where can I buy Butanedioic acid, chloro-, bis(1-methylpropyl) ester?
You can request a quote for Butanedioic acid, chloro-, bis(1-methylpropyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, chloro-, bis(1-methylpropyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, chloro-, bis(1-methylpropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.