2,6-Dimethylheptan-4-yl 2-chloroacetate
TL;DR: 2,6-Dimethylheptan-4-yl 2-chloroacetate (CAS 77205-16-4) is a chemical compound with molecular formula C11H21ClO2 and molecular weight 220.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimethylheptan-4-yl 2-chloroacetate
Also Known As: 2,6-dimethylheptan-4-yl 2-chloroacetate, 2,6-Dimethylheptan-4-yl chloroacetate
| Molecular Formula | C11H21ClO2 |
|---|---|
| Molecular Weight | 220.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 220.123 |
| Heavy Atoms | 14 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 77205-16-4 |
|---|---|
| SMILES | CC(C)CC(CC(C)C)OC(=O)CCl |
| InChIKey | PTUUSVYFKOPNAN-UHFFFAOYSA-N |
Product Overview
2,6-Dimethylheptan-4-yl 2-chloroacetate (CAS 77205-16-4), with molecular formula C11H21ClO2 and molecular weight 220.12 g/mol. IUPAC: 2,6-dimethylheptan-4-yl 2-chloroacetate.
Chemical Property Profile of 2,6-Dimethylheptan-4-yl 2-chloroacetate
Property Insights of 2,6-Dimethylheptan-4-yl 2-chloroacetate
The XLogP value of 4.2 indicates that 2,6-Dimethylheptan-4-yl 2-chloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,6-Dimethylheptan-4-yl 2-chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethylheptan-4-yl 2-chloroacetate has 0 hydrogen bond donor(s) and 2 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 2,6-Dimethylheptan-4-yl 2-chloroacetate?
The CAS number of 2,6-Dimethylheptan-4-yl 2-chloroacetate is 77205-16-4.
What is the molecular formula of 2,6-Dimethylheptan-4-yl 2-chloroacetate?
The molecular formula of 2,6-Dimethylheptan-4-yl 2-chloroacetate is C11H21ClO2.
What is the molecular weight of 2,6-Dimethylheptan-4-yl 2-chloroacetate?
The molecular weight of 2,6-Dimethylheptan-4-yl 2-chloroacetate is 220.12 g/mol.
Where can I buy 2,6-Dimethylheptan-4-yl 2-chloroacetate?
You can request a quote for 2,6-Dimethylheptan-4-yl 2-chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethylheptan-4-yl 2-chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethylheptan-4-yl 2-chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.