4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile
TL;DR: 4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile (CAS 61909-89-5) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dimethoxyphenyl)oxane-4-carbonitrile
Also Known As: 4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile, BAS 00385809, BIM-0034076.P001, 4-(3,4-dimethoxyphenyl)oxane-4-carbonitrile, 4-(3,4-Dimethoxy-phenyl)-tetrahydro-pyran-4-carbonitrile
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 61909-89-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2(CCOCC2)C#N)OC |
| InChIKey | XDYRYWFZHIQUJF-UHFFFAOYSA-N |
Product Overview
4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile (CAS 61909-89-5), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: 4-(3,4-dimethoxyphenyl)oxane-4-carbonitrile.
Chemical Property Profile of 4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile
Property Insights of 4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile. With a topological polar surface area (TPSA) of 51.5 Ų, 4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-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 4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile?
The CAS number of 4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile is 61909-89-5.
What is the molecular formula of 4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile?
The molecular formula of 4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile is C14H17NO3.
What is the molecular weight of 4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile?
The molecular weight of 4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile is 247.12 g/mol.
Where can I buy 4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile?
You can request a quote for 4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.