(3S,6S)-2,7-Dimethyl-3,6-octanediol
TL;DR: (3S,6S)-2,7-Dimethyl-3,6-octanediol (CAS 129705-30-2) is a chemical compound with molecular formula C10H22O2 and molecular weight 174.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,6S)-2,7-dimethyloctane-3,6-diol
Also Known As: (3S,6S)-2,7-Dimethyloctane-3,6-diol, (3S,6S)-2,7-Dimethyl-3,6-octanediol, L-diphenyl-phenylglycinol, 3,6-Octanediol, 2,7-dimethyl-, (3S,6S)-, (3S,6S)-2,7-Dimethyl-3,6-octanediol, >=99.0% (sum of enantiomers, GC)
| Molecular Formula | C10H22O2 |
|---|---|
| Molecular Weight | 174.16 g/mol |
| LogP | 1.8004 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.16199 |
| Heavy Atoms | 12 |
| Complexity | 96.406204 |
Chemical Identifiers
| CAS Number | 129705-30-2 |
|---|---|
| SMILES | CC(C)[C@H](CC[C@@H](C(C)C)O)O |
Product Overview
(3S,6S)-2,7-Dimethyl-3,6-octanediol (CAS 129705-30-2), with molecular formula C10H22O2 and molecular weight 174.16 g/mol. IUPAC: (3S,6S)-2,7-dimethyloctane-3,6-diol.
Chemical Property Profile of (3S,6S)-2,7-Dimethyl-3,6-octanediol
Property Insights of (3S,6S)-2,7-Dimethyl-3,6-octanediol
The XLogP value of 1.8004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S,6S)-2,7-Dimethyl-3,6-octanediol. With a topological polar surface area (TPSA) of 40.46 Ų, (3S,6S)-2,7-Dimethyl-3,6-octanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S,6S)-2,7-Dimethyl-3,6-octanediol 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 (3S,6S)-2,7-Dimethyl-3,6-octanediol?
The CAS number of (3S,6S)-2,7-Dimethyl-3,6-octanediol is 129705-30-2.
What is the molecular formula of (3S,6S)-2,7-Dimethyl-3,6-octanediol?
The molecular formula of (3S,6S)-2,7-Dimethyl-3,6-octanediol is C10H22O2.
What is the molecular weight of (3S,6S)-2,7-Dimethyl-3,6-octanediol?
The molecular weight of (3S,6S)-2,7-Dimethyl-3,6-octanediol is 174.16 g/mol.
Where can I buy (3S,6S)-2,7-Dimethyl-3,6-octanediol?
You can request a quote for (3S,6S)-2,7-Dimethyl-3,6-octanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S,6S)-2,7-Dimethyl-3,6-octanediol?
Yes, KEHONG BIO provides custom synthesis services for (3S,6S)-2,7-Dimethyl-3,6-octanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.