4-Chlorobutanaldiethylacetal
TL;DR: 4-Chlorobutanaldiethylacetal (CAS 6139-83-9) is a chemical compound with molecular formula C20H34O11 and molecular weight 450.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 2-[2-[2-(1-butan-2-yloxy-1-oxopropan-2-yl)oxycarbonyloxyethoxy]ethoxycarbonyloxy]propanoate
Also Known As: 4-Chlorobutanaldiethylacetal, 4-chloro-1,1-diethoxybutane, dibutan-2-yl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate, BIS(2-HYDROXYETHYL)ETHER, DIESTER WITH SEC-BUTYL LACTATE, butan-2-yl 2-[2-[2-(1-butan-2-yloxy-1-oxopropan-2-yl)oxycarb
| Molecular Formula | C20H34O11 |
|---|---|
| Molecular Weight | 450.21 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 20 |
| Exact Mass | 450.2101 |
| Heavy Atoms | 31 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 6139-83-9 |
|---|---|
| SMILES | CCC(C)OC(=O)C(C)OC(=O)OCCOCCOC(=O)OC(C)C(=O)OC(C)CC |
| InChIKey | ABXWTRBPSFPYRM-UHFFFAOYSA-N |
Product Overview
4-Chlorobutanaldiethylacetal (CAS 6139-83-9), with molecular formula C20H34O11 and molecular weight 450.21 g/mol. IUPAC: butan-2-yl 2-[2-[2-(1-butan-2-yloxy-1-oxopropan-2-yl)oxycarbonyloxyethoxy]ethoxycarbonyloxy]propanoate.
Chemical Property Profile of 4-Chlorobutanaldiethylacetal
Property Insights of 4-Chlorobutanaldiethylacetal
The XLogP value of 4.0 indicates that 4-Chlorobutanaldiethylacetal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chlorobutanaldiethylacetal. Following Lipinski's Rule of Five, 4-Chlorobutanaldiethylacetal has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Chlorobutanaldiethylacetal?
The CAS number of 4-Chlorobutanaldiethylacetal is 6139-83-9.
What is the molecular formula of 4-Chlorobutanaldiethylacetal?
The molecular formula of 4-Chlorobutanaldiethylacetal is C20H34O11.
What is the molecular weight of 4-Chlorobutanaldiethylacetal?
The molecular weight of 4-Chlorobutanaldiethylacetal is 450.21 g/mol.
Where can I buy 4-Chlorobutanaldiethylacetal?
You can request a quote for 4-Chlorobutanaldiethylacetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobutanaldiethylacetal?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobutanaldiethylacetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.