1-(3,4-二甲氧基苯基)环丙烷甲腈
TL;DR: 1-(3,4-二甲氧基苯基)环丙烷甲腈 (CAS 20904-18-1) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-二甲氧基苯基)环丙烷甲腈
1-(3,4-dimethoxyphenyl)cyclopropane-1-carbonitrile
Also Known As: 1-(3,4-dimethoxyphenyl)cyclopropanecarbonitrile, 1-(3,4-dimethoxyphenyl)cyclopropane-1-carbonitrile, Cyclopropanecarbonitrile, 1-(3,4-dimethoxyphenyl)-, J2.228.654D, 1-(34-Dimethoxyphenyl)cyclopropanecarbonitrile
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 20904-18-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2(CC2)C#N)OC |
| InChIKey | PZVYROVODMATJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3,4-二甲氧基苯基)环丙烷甲腈 (CAS 20904-18-1), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)cyclopropane-1-carbonitrile.
Chemical Property Profile of 1-(3,4-二甲氧基苯基)环丙烷甲腈
Property Insights of 1-(3,4-二甲氧基苯基)环丙烷甲腈
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-二甲氧基苯基)环丙烷甲腈. With a topological polar surface area (TPSA) of 42.3 Ų, 1-(3,4-二甲氧基苯基)环丙烷甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-二甲氧基苯基)环丙烷甲腈 has 0 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 1-(3,4-二甲氧基苯基)环丙烷甲腈?
The CAS number of 1-(3,4-二甲氧基苯基)环丙烷甲腈 is 20904-18-1.
What is the molecular formula of 1-(3,4-二甲氧基苯基)环丙烷甲腈?
The molecular formula of 1-(3,4-二甲氧基苯基)环丙烷甲腈 is C12H13NO2.
What is the molecular weight of 1-(3,4-二甲氧基苯基)环丙烷甲腈?
The molecular weight of 1-(3,4-二甲氧基苯基)环丙烷甲腈 is 203.09 g/mol.
Where can I buy 1-(3,4-二甲氧基苯基)环丙烷甲腈?
You can request a quote for 1-(3,4-二甲氧基苯基)环丙烷甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-二甲氧基苯基)环丙烷甲腈?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-二甲氧基苯基)环丙烷甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.