8-(m-Methoxyphenyl)-1,4-dioxaspiro(4.5)decane-8-carbonitrile
TL;DR: 8-(m-Methoxyphenyl)-1,4-dioxaspiro(4.5)decane-8-carbonitrile (CAS 13225-35-9) is a chemical compound with molecular formula C16H19NO3 and molecular weight 273.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3-methoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
Also Known As: J1.429.849E, 8-(3-Methoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile, 8-(m-Methoxyphenyl)-1,4-dioxaspiro(4.5)decane-8-carbonitrile, 4-(3-methoxyphenyl)-4-cyano-1,1-ethylenedioxy-cyclohexane, 8-(m-Methoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
| Molecular Formula | C16H19NO3 |
|---|---|
| Molecular Weight | 273.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.1365 |
| Heavy Atoms | 20 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 13225-35-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2(CCC3(CC2)OCCO3)C#N |
| InChIKey | RQDGRMRKELEEJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-(m-Methoxyphenyl)-1,4-dioxaspiro(4.5)decane-8-carbonitrile (CAS 13225-35-9), with molecular formula C16H19NO3 and molecular weight 273.14 g/mol. IUPAC: 8-(3-methoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile.
Chemical Property Profile of 8-(m-Methoxyphenyl)-1,4-dioxaspiro(4.5)decane-8-carbonitrile
Property Insights of 8-(m-Methoxyphenyl)-1,4-dioxaspiro(4.5)decane-8-carbonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(m-Methoxyphenyl)-1,4-dioxaspiro(4.5)decane-8-carbonitrile. With a topological polar surface area (TPSA) of 51.5 Ų, 8-(m-Methoxyphenyl)-1,4-dioxaspiro(4.5)decane-8-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(m-Methoxyphenyl)-1,4-dioxaspiro(4.5)decane-8-carbonitrile has 0 hydrogen bond donor(s) and 4 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-(m-Methoxyphenyl)-1,4-dioxaspiro(4.5)decane-8-carbonitrile?
The CAS number of 8-(m-Methoxyphenyl)-1,4-dioxaspiro(4.5)decane-8-carbonitrile is 13225-35-9.
What is the molecular formula of 8-(m-Methoxyphenyl)-1,4-dioxaspiro(4.5)decane-8-carbonitrile?
The molecular formula of 8-(m-Methoxyphenyl)-1,4-dioxaspiro(4.5)decane-8-carbonitrile is C16H19NO3.
What is the molecular weight of 8-(m-Methoxyphenyl)-1,4-dioxaspiro(4.5)decane-8-carbonitrile?
The molecular weight of 8-(m-Methoxyphenyl)-1,4-dioxaspiro(4.5)decane-8-carbonitrile is 273.14 g/mol.
Where can I buy 8-(m-Methoxyphenyl)-1,4-dioxaspiro(4.5)decane-8-carbonitrile?
You can request a quote for 8-(m-Methoxyphenyl)-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-(m-Methoxyphenyl)-1,4-dioxaspiro(4.5)decane-8-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 8-(m-Methoxyphenyl)-1,4-dioxaspiro(4.5)decane-8-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.