rel-(1R,3S)-1,2,2-Trimethyl-1,3-cyclopentanedimethanol
TL;DR: rel-(1R,3S)-1,2,2-Trimethyl-1,3-cyclopentanedimethanol (CAS 19908-51-1) 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.
[(1S,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methanol
Also Known As: ((1R,3S)-1,2,2-trimethylcyclopentane-1,3-diyl)dimethanol, 1,2,2-Trimethylcyclopentane-1beta,3beta-dimethanol, (1R,3S)-1,2,2-Trimethyl-1,3-cyclopentanedimethanol, rel-(1R,3S)-1,2,2-Trimethyl-1,3-cyclopentanedimethanol, (1R,3S)-(+)-cis-1,2,2-Trimethylcyclopentane-1,3-dimethanol
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 1.4135 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 165.22151 |
Chemical Identifiers
| CAS Number | 19908-51-1 |
|---|---|
| SMILES | C[C@]1(CC[C@@H](C1(C)C)CO)CO |
Product Overview
rel-(1R,3S)-1,2,2-Trimethyl-1,3-cyclopentanedimethanol (CAS 19908-51-1), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: [(1S,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methanol.
Chemical Property Profile of rel-(1R,3S)-1,2,2-Trimethyl-1,3-cyclopentanedimethanol
Property Insights of rel-(1R,3S)-1,2,2-Trimethyl-1,3-cyclopentanedimethanol
The XLogP value of 1.4135 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rel-(1R,3S)-1,2,2-Trimethyl-1,3-cyclopentanedimethanol. With a topological polar surface area (TPSA) of 40.46 Ų, rel-(1R,3S)-1,2,2-Trimethyl-1,3-cyclopentanedimethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rel-(1R,3S)-1,2,2-Trimethyl-1,3-cyclopentanedimethanol 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,3S)-1,2,2-Trimethyl-1,3-cyclopentanedimethanol?
The CAS number of rel-(1R,3S)-1,2,2-Trimethyl-1,3-cyclopentanedimethanol is 19908-51-1.
What is the molecular formula of rel-(1R,3S)-1,2,2-Trimethyl-1,3-cyclopentanedimethanol?
The molecular formula of rel-(1R,3S)-1,2,2-Trimethyl-1,3-cyclopentanedimethanol is C10H20O2.
What is the molecular weight of rel-(1R,3S)-1,2,2-Trimethyl-1,3-cyclopentanedimethanol?
The molecular weight of rel-(1R,3S)-1,2,2-Trimethyl-1,3-cyclopentanedimethanol is 172.15 g/mol.
Where can I buy rel-(1R,3S)-1,2,2-Trimethyl-1,3-cyclopentanedimethanol?
You can request a quote for rel-(1R,3S)-1,2,2-Trimethyl-1,3-cyclopentanedimethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rel-(1R,3S)-1,2,2-Trimethyl-1,3-cyclopentanedimethanol?
Yes, KEHONG BIO provides custom synthesis services for rel-(1R,3S)-1,2,2-Trimethyl-1,3-cyclopentanedimethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.