![1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl-2-chloroacetate structure](/static/products/856/856799-04-7.png)
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl-2-chloroacetate
TL;DR: 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl-2-chloroacetate (CAS 856799-04-7) is a chemical compound with molecular formula C12H19ClO2 and molecular weight 230.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-chloroacetate
Also Known As: 2-Chloroacetoxybornane, Chloressigsaurebornylester, chloro-acetic acid bornyl ester, ghl.PD_Mitscher_leg0.578, Chloroacetic acid 2-bornyl ester
| Molecular Formula | C12H19ClO2 |
|---|---|
| Molecular Weight | 230.11 g/mol |
| LogP | 2.9832 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.10736 |
| Heavy Atoms | 15 |
| Complexity | 287.3467 |
Chemical Identifiers
| CAS Number | 856799-04-7 |
|---|---|
| SMILES | CC1(C2CCC1(C(C2)OC(=O)CCl)C)C |
Product Overview
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl-2-chloroacetate (CAS 856799-04-7), with molecular formula C12H19ClO2 and molecular weight 230.11 g/mol. IUPAC: (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-chloroacetate.
Chemical Property Profile of 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl-2-chloroacetate
Property Insights of 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl-2-chloroacetate
The XLogP value of 2.9832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl-2-chloroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl-2-chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-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 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl-2-chloroacetate?
The CAS number of 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl-2-chloroacetate is 856799-04-7.
What is the molecular formula of 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl-2-chloroacetate?
The molecular formula of 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl-2-chloroacetate is C12H19ClO2.
What is the molecular weight of 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl-2-chloroacetate?
The molecular weight of 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl-2-chloroacetate is 230.11 g/mol.
Where can I buy 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl-2-chloroacetate?
You can request a quote for 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-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 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl-2-chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl-2-chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.