EINECS 259-004-8
TL;DR: EINECS 259-004-8 (CAS 54164-87-3) 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.
2-[(1S,3R,6R)-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]propan-2-ol
Also Known As: EINECS 259-004-8, (1alpha,3alpha,6alpha)-alpha,alpha,6-Trimethyl-7-oxabicyclo(4.1.0)heptane-3-methanol, 2-[(1S,3R,6R)-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]propan-2-ol, (1alpha,3alpha,6alpha)-alpha,alpha,6-trimethyl-7-oxabicyclo[4.1.0]heptane-3-methanol, (1S,1alpha)-alpha,alpha,6alpha-Trimethyl-7-oxabicyclo[4.1.0]heptane-3alpha-methanol
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 1.7149 |
| Topological Polar Surface Area | 32.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 194.50548 |
Chemical Identifiers
| CAS Number | 54164-87-3 |
|---|---|
| SMILES | C[C@@]12CC[C@H](C[C@@H]1O2)C(C)(C)O |
Product Overview
EINECS 259-004-8 (CAS 54164-87-3), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 2-[(1S,3R,6R)-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]propan-2-ol.
Chemical Property Profile of EINECS 259-004-8
Property Insights of EINECS 259-004-8
The XLogP value of 1.7149 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 259-004-8. With a topological polar surface area (TPSA) of 32.76 Ų, EINECS 259-004-8 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 259-004-8 has 1 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 EINECS 259-004-8?
The CAS number of EINECS 259-004-8 is 54164-87-3.
What is the molecular formula of EINECS 259-004-8?
The molecular formula of EINECS 259-004-8 is C10H18O2.
What is the molecular weight of EINECS 259-004-8?
The molecular weight of EINECS 259-004-8 is 170.13 g/mol.
Where can I buy EINECS 259-004-8?
You can request a quote for EINECS 259-004-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 259-004-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 259-004-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.