rel-(1R,4S)-1-Methyl-4-(1-methylethyl)-2-cyclohexene-1,4-diol
TL;DR: rel-(1R,4S)-1-Methyl-4-(1-methylethyl)-2-cyclohexene-1,4-diol (CAS 21473-37-0) 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,4S)-1-methyl-4-propan-2-ylcyclohex-2-ene-1,4-diol
Also Known As: trans-Ascaridolglycol, (1R,4S)-p-Mentha-2-ene-1,4-diol, J1.375.118H, (1R,4S)-1-methyl-4-(propan-2-yl)cyclohex-2-ene-1,4-diol, (1R,4S)-1-methyl-4-propan-2-ylcyclohex-2-ene-1,4-diol
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 1.4745 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 194.01526 |
Chemical Identifiers
| CAS Number | 21473-37-0 |
|---|---|
| SMILES | CC(C)[C@]1(CC[C@@](C=C1)(C)O)O |
Product Overview
rel-(1R,4S)-1-Methyl-4-(1-methylethyl)-2-cyclohexene-1,4-diol (CAS 21473-37-0), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: (1R,4S)-1-methyl-4-propan-2-ylcyclohex-2-ene-1,4-diol.
Chemical Property Profile of rel-(1R,4S)-1-Methyl-4-(1-methylethyl)-2-cyclohexene-1,4-diol
Property Insights of rel-(1R,4S)-1-Methyl-4-(1-methylethyl)-2-cyclohexene-1,4-diol
The XLogP value of 1.4745 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rel-(1R,4S)-1-Methyl-4-(1-methylethyl)-2-cyclohexene-1,4-diol. With a topological polar surface area (TPSA) of 40.46 Ų, rel-(1R,4S)-1-Methyl-4-(1-methylethyl)-2-cyclohexene-1,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rel-(1R,4S)-1-Methyl-4-(1-methylethyl)-2-cyclohexene-1,4-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 rel-(1R,4S)-1-Methyl-4-(1-methylethyl)-2-cyclohexene-1,4-diol?
The CAS number of rel-(1R,4S)-1-Methyl-4-(1-methylethyl)-2-cyclohexene-1,4-diol is 21473-37-0.
What is the molecular formula of rel-(1R,4S)-1-Methyl-4-(1-methylethyl)-2-cyclohexene-1,4-diol?
The molecular formula of rel-(1R,4S)-1-Methyl-4-(1-methylethyl)-2-cyclohexene-1,4-diol is C10H18O2.
What is the molecular weight of rel-(1R,4S)-1-Methyl-4-(1-methylethyl)-2-cyclohexene-1,4-diol?
The molecular weight of rel-(1R,4S)-1-Methyl-4-(1-methylethyl)-2-cyclohexene-1,4-diol is 170.13 g/mol.
Where can I buy rel-(1R,4S)-1-Methyl-4-(1-methylethyl)-2-cyclohexene-1,4-diol?
You can request a quote for rel-(1R,4S)-1-Methyl-4-(1-methylethyl)-2-cyclohexene-1,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rel-(1R,4S)-1-Methyl-4-(1-methylethyl)-2-cyclohexene-1,4-diol?
Yes, KEHONG BIO provides custom synthesis services for rel-(1R,4S)-1-Methyl-4-(1-methylethyl)-2-cyclohexene-1,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.