6-Methyl-1,6-heptanediol
TL;DR: 6-Methyl-1,6-heptanediol (CAS 5392-57-4) is a chemical compound with molecular formula C8H18O2 and molecular weight 146.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylheptane-1,6-diol
Also Known As: 6-Methylheptane-1,6-diol, 6-Methyl-1,6-heptanediol, starbld0001570, 6-Methyl-1,6-heptanediol #, J2.218.351F
| Molecular Formula | C8H18O2 |
|---|---|
| Molecular Weight | 146.13 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.13068 |
| Heavy Atoms | 10 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 5392-57-4 |
|---|---|
| SMILES | CC(C)(CCCCCO)O |
| InChIKey | XICLOMYOBVKLTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Methyl-1,6-heptanediol (CAS 5392-57-4), with molecular formula C8H18O2 and molecular weight 146.13 g/mol. IUPAC: 6-methylheptane-1,6-diol.
Chemical Property Profile of 6-Methyl-1,6-heptanediol
Property Insights of 6-Methyl-1,6-heptanediol
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-1,6-heptanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 6-Methyl-1,6-heptanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-1,6-heptanediol 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 6-Methyl-1,6-heptanediol?
The CAS number of 6-Methyl-1,6-heptanediol is 5392-57-4.
What is the molecular formula of 6-Methyl-1,6-heptanediol?
The molecular formula of 6-Methyl-1,6-heptanediol is C8H18O2.
What is the molecular weight of 6-Methyl-1,6-heptanediol?
The molecular weight of 6-Methyl-1,6-heptanediol is 146.13 g/mol.
Where can I buy 6-Methyl-1,6-heptanediol?
You can request a quote for 6-Methyl-1,6-heptanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-1,6-heptanediol?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-1,6-heptanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.