cis-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol
TL;DR: cis-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol (CAS 454-77-3) 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,5S)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
Also Known As: Sobrerol, (+)-cis-Sobrerol, Sobrerol, cis-(+)-, Sobrerol, cis-, (+/-)-, EINECS 259-005-3
| 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 | 188.50548 |
Chemical Identifiers
| CAS Number | 454-77-3 |
|---|---|
| SMILES | CC1=CC[C@@H](C[C@@H]1O)C(C)(C)O |
Product Overview
cis-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol (CAS 454-77-3), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: (1S,5S)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol.
Chemical Property Profile of cis-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol
Property Insights of cis-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol
The XLogP value of 1.4745 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol. With a topological polar surface area (TPSA) of 40.46 Ų, cis-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol 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 cis-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol?
The CAS number of cis-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol is 454-77-3.
What is the molecular formula of cis-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol?
The molecular formula of cis-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol is C10H18O2.
What is the molecular weight of cis-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol?
The molecular weight of cis-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol is 170.13 g/mol.
Where can I buy cis-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol?
You can request a quote for cis-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol?
Yes, KEHONG BIO provides custom synthesis services for cis-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.