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8-(3,4-Dimethoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
TL;DR: 8-(3,4-Dimethoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile (CAS 61749-06-2) is a chemical compound with molecular formula C17H21NO4 and molecular weight 303.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3,4-dimethoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
Also Known As: 8-(3,4-dimethoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile, 1,4-Dioxaspiro[4.5]decane-8-carbonitrile, 8-(3,4-dimethoxyphenyl)-, 1,4-dioxaspiro[4.5]decane-8-carbonitrile, 8-(3,4-dimethoxyphenyl), 1,4-Dioxaspiro[4.5]decane-8-carbonitrile,8-(3,4-dimethoxyphenyl)
| Molecular Formula | C17H21NO4 |
|---|---|
| Molecular Weight | 303.15 g/mol |
| LogP | 2.78228 |
| Topological Polar Surface Area | 60.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.14706 |
| Heavy Atoms | 22 |
| Complexity | 576.812 |
Chemical Identifiers
| CAS Number | 61749-06-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2(CCC3(CC2)OCCO3)C#N)OC |
Product Overview
8-(3,4-Dimethoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile (CAS 61749-06-2), with molecular formula C17H21NO4 and molecular weight 303.15 g/mol. IUPAC: 8-(3,4-dimethoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile.
Chemical Property Profile of 8-(3,4-Dimethoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
Property Insights of 8-(3,4-Dimethoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
The XLogP value of 2.78228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(3,4-Dimethoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile. The TPSA of 60.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(3,4-Dimethoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile. Following Lipinski's Rule of Five, 8-(3,4-Dimethoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile has 0 hydrogen bond donor(s) and 5 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 8-(3,4-Dimethoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The CAS number of 8-(3,4-Dimethoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile is 61749-06-2.
What is the molecular formula of 8-(3,4-Dimethoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The molecular formula of 8-(3,4-Dimethoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile is C17H21NO4.
What is the molecular weight of 8-(3,4-Dimethoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The molecular weight of 8-(3,4-Dimethoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile is 303.15 g/mol.
Where can I buy 8-(3,4-Dimethoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
You can request a quote for 8-(3,4-Dimethoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(3,4-Dimethoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 8-(3,4-Dimethoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.