(1S-(1alpha,3alpha,4beta,6alpha))-3,7,7-Trimethylbicyclo(4.1.0)heptane-3,4-diol
TL;DR: (1S-(1alpha,3alpha,4beta,6alpha))-3,7,7-Trimethylbicyclo(4.1.0)heptane-3,4-diol (CAS 10395-46-7) 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.
(1S,3S,4S,6R)-3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol
Also Known As: KST-1A0431, (1S,3S,4S,6R)-3,7,7-trimethylnorcarane-3,4-diol, (1S,3S,4S,6R)-3,7,7-TRIMETHYLBICYCLO[4.1.0]HEPTANE-3,4-DIOL, 3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol, (1
| 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 | 10395-46-7 |
|---|---|
| SMILES | C[C@@]1(C[C@H]2[C@H](C2(C)C)C[C@@H]1O)O |
| InChIKey | AHVKNBRJVKCGKJ-VEVYYDQMSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1S-(1alpha,3alpha,4beta,6alpha))-3,7,7-Trimethylbicyclo(4.1.0)heptane-3,4-diol (CAS 10395-46-7), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: (1S,3S,4S,6R)-3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol.
Chemical Property Profile of (1S-(1alpha,3alpha,4beta,6alpha))-3,7,7-Trimethylbicyclo(4.1.0)heptane-3,4-diol
Property Insights of (1S-(1alpha,3alpha,4beta,6alpha))-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 (1S-(1alpha,3alpha,4beta,6alpha))-3,7,7-Trimethylbicyclo(4.1.0)heptane-3,4-diol. With a topological polar surface area (TPSA) of 40.5 Ų, (1S-(1alpha,3alpha,4beta,6alpha))-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, (1S-(1alpha,3alpha,4beta,6alpha))-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 (1S-(1alpha,3alpha,4beta,6alpha))-3,7,7-Trimethylbicyclo(4.1.0)heptane-3,4-diol?
The CAS number of (1S-(1alpha,3alpha,4beta,6alpha))-3,7,7-Trimethylbicyclo(4.1.0)heptane-3,4-diol is 10395-46-7.
What is the molecular formula of (1S-(1alpha,3alpha,4beta,6alpha))-3,7,7-Trimethylbicyclo(4.1.0)heptane-3,4-diol?
The molecular formula of (1S-(1alpha,3alpha,4beta,6alpha))-3,7,7-Trimethylbicyclo(4.1.0)heptane-3,4-diol is C10H18O2.
What is the molecular weight of (1S-(1alpha,3alpha,4beta,6alpha))-3,7,7-Trimethylbicyclo(4.1.0)heptane-3,4-diol?
The molecular weight of (1S-(1alpha,3alpha,4beta,6alpha))-3,7,7-Trimethylbicyclo(4.1.0)heptane-3,4-diol is 170.13 g/mol.
Where can I buy (1S-(1alpha,3alpha,4beta,6alpha))-3,7,7-Trimethylbicyclo(4.1.0)heptane-3,4-diol?
You can request a quote for (1S-(1alpha,3alpha,4beta,6alpha))-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 (1S-(1alpha,3alpha,4beta,6alpha))-3,7,7-Trimethylbicyclo(4.1.0)heptane-3,4-diol?
Yes, KEHONG BIO provides custom synthesis services for (1S-(1alpha,3alpha,4beta,6alpha))-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.