对薄荷烷-1,8-二醇
TL;DR: 对薄荷烷-1,8-二醇 (CAS 80-53-5) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对薄荷烷-1,8-二醇
4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol
Also Known As: TERPIN, trans-Terpin, p-Menthane-1,8-diol, cis-p-Menthan-1,8-diol, 1,8-Terpin
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
| Melting Point | 158 - 159 °C |
| Solubility | 1 mg/mL at 20 °C |
Chemical Identifiers
| CAS Number | 80-53-5 |
|---|---|
| SMILES | CC1(CCC(CC1)C(C)(C)O)O |
| InChIKey | RBNWAMSGVWEHFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对薄荷烷-1,8-二醇 (CAS 80-53-5), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol.
Chemical Property Profile of 对薄荷烷-1,8-二醇
Property Insights of 对薄荷烷-1,8-二醇
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对薄荷烷-1,8-二醇. With a topological polar surface area (TPSA) of 40.5 Ų, 对薄荷烷-1,8-二醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对薄荷烷-1,8-二醇 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 对薄荷烷-1,8-二醇?
The CAS number of 对薄荷烷-1,8-二醇 is 80-53-5.
What is the molecular formula of 对薄荷烷-1,8-二醇?
The molecular formula of 对薄荷烷-1,8-二醇 is C10H20O2.
What is the molecular weight of 对薄荷烷-1,8-二醇?
The molecular weight of 对薄荷烷-1,8-二醇 is 172.15 g/mol.
Where can I buy 对薄荷烷-1,8-二醇?
You can request a quote for 对薄荷烷-1,8-二醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对薄荷烷-1,8-二醇?
Yes, KEHONG BIO provides custom synthesis services for 对薄荷烷-1,8-二醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.