![3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol structure](/static/products/5752/57526-47-3.webp)
3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol
TL;DR: 3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol (CAS 57526-47-3) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol
Also Known As: carane-3,4-diol, 3,4-caranediol, 3,4-DIHYDROXYCARANE, 3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol, Pinandiol-(2.3)
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 57526-47-3 |
|---|---|
| SMILES | CC1(C2C1CC(C(C2)O)(C)O)C |
| InChIKey | AHVKNBRJVKCGKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol (CAS 57526-47-3), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol.
Chemical Property Profile of 3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol
Property Insights of 3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol has 2 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 3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol?
The CAS number of 3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol is 57526-47-3.
What is the molecular formula of 3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol?
The molecular formula of 3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol is C10H18O2.
What is the molecular weight of 3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol?
The molecular weight of 3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol is 170.13 g/mol.
Where can I buy 3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol?
You can request a quote for 3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.