![1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (cyanothio)acetate structure](/static/products/2028/20285-28-3.webp)
1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (cyanothio)acetate
TL;DR: 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (cyanothio)acetate (CAS 20285-28-3) is a chemical compound with molecular formula C13H19NO2S and molecular weight 253.11 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-thiocyanatoacetate
Also Known As: Thanite, Thanisol, Bornate, Cidalon, ISOBORNYL THIOCYANOACETATE
| Molecular Formula | C13H19NO2S |
|---|---|
| Molecular Weight | 253.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.11365 |
| Heavy Atoms | 17 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 20285-28-3 |
|---|---|
| SMILES | CC1(C2CCC1(C(C2)OC(=O)CSC#N)C)C |
| InChIKey | IXEVGHXRXDBAOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (cyanothio)acetate (CAS 20285-28-3), with molecular formula C13H19NO2S and molecular weight 253.11 g/mol. IUPAC: (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-thiocyanatoacetate.
Chemical Property Profile of 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (cyanothio)acetate
Property Insights of 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (cyanothio)acetate
The XLogP value of 4.0 indicates that 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (cyanothio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (cyanothio)acetate. Following Lipinski's Rule of Five, 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (cyanothio)acetate 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 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (cyanothio)acetate?
The CAS number of 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (cyanothio)acetate is 20285-28-3.
What is the molecular formula of 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (cyanothio)acetate?
The molecular formula of 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (cyanothio)acetate is C13H19NO2S.
What is the molecular weight of 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (cyanothio)acetate?
The molecular weight of 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (cyanothio)acetate is 253.11 g/mol.
Where can I buy 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (cyanothio)acetate?
You can request a quote for 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (cyanothio)acetate 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]hept-2-yl (cyanothio)acetate?
Yes, KEHONG BIO provides custom synthesis services for 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (cyanothio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.