![Bicyclo[4.1.0]heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1R,3S,4S,6S)-rel- structure](/static/products/2843/28435-84-9.webp)
Bicyclo[4.1.0]heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1R,3S,4S,6S)-rel-
TL;DR: Bicyclo[4.1.0]heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1R,3S,4S,6S)-rel- (CAS 28435-84-9) is a chemical compound with molecular formula C12H20O3 and molecular weight 212.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3S,4S,6S)-4-hydroxy-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl] acetate
Also Known As: 3,4-Caranediol 4-acetate, J1.637.120C, Bicyclo(4.1.0)heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1R,3S,4S,6S)-rel-, (1r,3s,4s,6s)-4-hydroxy-4,7,7-trimethylbicyclo[4.1.0]hept-3-yl acetate, (1alpha,3beta,4alpha,6alpha)-3-Hydroxy-3,7,7-trimethylbicyclo(4.1.0)hept-4-yl acetate
| Molecular Formula | C12H20O3 |
|---|---|
| Molecular Weight | 212.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.14125 |
| Heavy Atoms | 15 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 28435-84-9 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@@H]2[C@@H](C2(C)C)C[C@]1(C)O |
| InChIKey | ULLVLQDHBOHWGJ-WDCWCFNPSA-N |
Product Overview
Bicyclo[4.1.0]heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1R,3S,4S,6S)-rel- (CAS 28435-84-9), with molecular formula C12H20O3 and molecular weight 212.14 g/mol. IUPAC: [(1R,3S,4S,6S)-4-hydroxy-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl] acetate.
Chemical Property Profile of Bicyclo[4.1.0]heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1R,3S,4S,6S)-rel-
Property Insights of Bicyclo[4.1.0]heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1R,3S,4S,6S)-rel-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[4.1.0]heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1R,3S,4S,6S)-rel-. With a topological polar surface area (TPSA) of 46.5 Ų, Bicyclo[4.1.0]heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1R,3S,4S,6S)-rel- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[4.1.0]heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1R,3S,4S,6S)-rel- has 1 hydrogen bond donor(s) and 3 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 Bicyclo[4.1.0]heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1R,3S,4S,6S)-rel-?
The CAS number of Bicyclo[4.1.0]heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1R,3S,4S,6S)-rel- is 28435-84-9.
What is the molecular formula of Bicyclo[4.1.0]heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1R,3S,4S,6S)-rel-?
The molecular formula of Bicyclo[4.1.0]heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1R,3S,4S,6S)-rel- is C12H20O3.
What is the molecular weight of Bicyclo[4.1.0]heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1R,3S,4S,6S)-rel-?
The molecular weight of Bicyclo[4.1.0]heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1R,3S,4S,6S)-rel- is 212.14 g/mol.
Where can I buy Bicyclo[4.1.0]heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1R,3S,4S,6S)-rel-?
You can request a quote for Bicyclo[4.1.0]heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1R,3S,4S,6S)-rel- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo[4.1.0]heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1R,3S,4S,6S)-rel-?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[4.1.0]heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1R,3S,4S,6S)-rel- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.