2-甲基異莰醇
TL;DR: 2-甲基異莰醇 (CAS 2371-42-8) is a chemical compound with molecular formula C11H20O and molecular weight 168.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基異莰醇
1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol
Also Known As: 2-METHYLISOBORNEOL, 2-Methylborneol, 2-Methyl-2-bornanol, 2-methyl-isoborneol, 2-Bornanol, 2-methyl-
| Molecular Formula | C11H20O |
|---|---|
| Molecular Weight | 168.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.15141 |
| Heavy Atoms | 12 |
| Complexity | 221.0 |
| Melting Point | 170 °C |
Chemical Identifiers
| CAS Number | 2371-42-8 |
|---|---|
| SMILES | CC1(C2CCC1(C(C2)(C)O)C)C |
| InChIKey | LFYXNXGVLGKVCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基異莰醇 (CAS 2371-42-8), with molecular formula C11H20O and molecular weight 168.15 g/mol. IUPAC: 1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol.
Chemical Property Profile of 2-甲基異莰醇
Property Insights of 2-甲基異莰醇
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基異莰醇. With a topological polar surface area (TPSA) of 20.2 Ų, 2-甲基異莰醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基異莰醇 has 1 hydrogen bond donor(s) and 1 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 2-甲基異莰醇?
The CAS number of 2-甲基異莰醇 is 2371-42-8.
What is the molecular formula of 2-甲基異莰醇?
The molecular formula of 2-甲基異莰醇 is C11H20O.
What is the molecular weight of 2-甲基異莰醇?
The molecular weight of 2-甲基異莰醇 is 168.15 g/mol.
Where can I buy 2-甲基異莰醇?
You can request a quote for 2-甲基異莰醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基異莰醇?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基異莰醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.