CID 107586
TL;DR: CID 107586 (CAS 4740-81-2) is a chemical compound with molecular formula C13H22O3 and molecular weight 226.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxan-5-ol
Also Known As: 2-(2,6-Dimethylhepta-1,5-dienyl)-1,3-dioxan-5-ol, 1,3-Dioxan-5-ol, 2-(2,6-dimethyl-1,5-heptadienyl)-
| Molecular Formula | C13H22O3 |
|---|---|
| Molecular Weight | 226.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.15689 |
| Heavy Atoms | 16 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 4740-81-2 |
|---|---|
| SMILES | CC(=CCCC(=CC1OCC(CO1)O)C)C |
| InChIKey | NUQAIRUKFLHEIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CID 107586 (CAS 4740-81-2), with molecular formula C13H22O3 and molecular weight 226.16 g/mol. IUPAC: 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxan-5-ol.
Chemical Property Profile of CID 107586
Property Insights of CID 107586
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CID 107586. With a topological polar surface area (TPSA) of 38.7 Ų, CID 107586 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CID 107586 has 1 hydrogen bond donor(s) and 3 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 CID 107586?
The CAS number of CID 107586 is 4740-81-2.
What is the molecular formula of CID 107586?
The molecular formula of CID 107586 is C13H22O3.
What is the molecular weight of CID 107586?
The molecular weight of CID 107586 is 226.16 g/mol.
Where can I buy CID 107586?
You can request a quote for CID 107586 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 107586?
Yes, KEHONG BIO provides custom synthesis services for CID 107586 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.