exo-1-Methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)heptan-2-ol
TL;DR: exo-1-Methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)heptan-2-ol (CAS 87172-89-2) 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.
(1R,2S,4S)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol
Also Known As: 2-Exo-hydroxy-1,4-cineole, EC 402-470-6, exo-1-methyl-4-7-oxabicyclo[2.2.1]heptan-2-ol, exo-1-Methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)heptan-2-ol, (1R,2S,4S)-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-ol
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 87172-89-2 |
|---|---|
| SMILES | CC(C)[C@@]12CC[C@@](O1)([C@H](C2)O)C |
| InChIKey | IFQZADDJTDGGCP-AEJSXWLSSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
exo-1-Methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)heptan-2-ol (CAS 87172-89-2), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: (1R,2S,4S)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol.
Chemical Property Profile of exo-1-Methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)heptan-2-ol
Property Insights of exo-1-Methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)heptan-2-ol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for exo-1-Methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)heptan-2-ol. With a topological polar surface area (TPSA) of 29.5 Ų, exo-1-Methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)heptan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, exo-1-Methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)heptan-2-ol has 1 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 exo-1-Methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)heptan-2-ol?
The CAS number of exo-1-Methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)heptan-2-ol is 87172-89-2.
What is the molecular formula of exo-1-Methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)heptan-2-ol?
The molecular formula of exo-1-Methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)heptan-2-ol is C10H18O2.
What is the molecular weight of exo-1-Methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)heptan-2-ol?
The molecular weight of exo-1-Methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)heptan-2-ol is 170.13 g/mol.
Where can I buy exo-1-Methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)heptan-2-ol?
You can request a quote for exo-1-Methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)heptan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for exo-1-Methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)heptan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for exo-1-Methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)heptan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.