Acetic acid, isobornyl ester, exo-
TL;DR: Acetic acid, isobornyl ester, exo- (CAS 58940-87-7) 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.
[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-thiocyanatoacetate
Also Known As: Thanisol, Bornate, Cidalon, Thanite, Terpinyl 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 | 58940-87-7 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C1(C)C)C[C@@H]2OC(=O)CSC#N |
| InChIKey | IXEVGHXRXDBAOB-GBIKHYSHSA-N |
Product Overview
Acetic acid, isobornyl ester, exo- (CAS 58940-87-7), with molecular formula C13H19NO2S and molecular weight 253.11 g/mol. IUPAC: [(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-thiocyanatoacetate.
Chemical Property Profile of Acetic acid, isobornyl ester, exo-
Property Insights of Acetic acid, isobornyl ester, exo-
The XLogP value of 4.0 indicates that Acetic acid, isobornyl ester, exo- 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 Acetic acid, isobornyl ester, exo-. Following Lipinski's Rule of Five, Acetic acid, isobornyl ester, exo- 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 Acetic acid, isobornyl ester, exo-?
The CAS number of Acetic acid, isobornyl ester, exo- is 58940-87-7.
What is the molecular formula of Acetic acid, isobornyl ester, exo-?
The molecular formula of Acetic acid, isobornyl ester, exo- is C13H19NO2S.
What is the molecular weight of Acetic acid, isobornyl ester, exo-?
The molecular weight of Acetic acid, isobornyl ester, exo- is 253.11 g/mol.
Where can I buy Acetic acid, isobornyl ester, exo-?
You can request a quote for Acetic acid, isobornyl ester, exo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, isobornyl ester, exo-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, isobornyl ester, exo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.