3-甲氧基-2-(甲氧基甲基)-2-丙烯腈
TL;DR: 3-甲氧基-2-(甲氧基甲基)-2-丙烯腈 (CAS 1608-82-8) is a chemical compound with molecular formula C6H9NO2 and molecular weight 127.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲氧基-2-(甲氧基甲基)-2-丙烯腈
3-methoxy-2-(methoxymethyl)prop-2-enenitrile
Also Known As: 3-Methoxy-2-(methoxymethyl)acrylonitrile, 2-Propenenitrile, 3-methoxy-2-(methoxymethyl)-, 3-Methoxy-2-(methoxymethyl)-2-propenenitrile, 3-METHOXY-2-(METHOXYMETHYL)PROP-2-ENENITRILE, 2-Propenenitrile, 3-methoxy-2-(methoxymethyl)-, (E)-
| Molecular Formula | C6H9NO2 |
|---|---|
| Molecular Weight | 127.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 127.06333 |
| Heavy Atoms | 9 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 1608-82-8 |
|---|---|
| SMILES | COCC(=COC)C#N |
| InChIKey | QZFRWRSOUHEOFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲氧基-2-(甲氧基甲基)-2-丙烯腈 (CAS 1608-82-8), with molecular formula C6H9NO2 and molecular weight 127.06 g/mol. IUPAC: 3-methoxy-2-(methoxymethyl)prop-2-enenitrile.
Chemical Property Profile of 3-甲氧基-2-(甲氧基甲基)-2-丙烯腈
Property Insights of 3-甲氧基-2-(甲氧基甲基)-2-丙烯腈
The XLogP value of -0.1 indicates that 3-甲氧基-2-(甲氧基甲基)-2-丙烯腈 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.3 Ų, 3-甲氧基-2-(甲氧基甲基)-2-丙烯腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲氧基-2-(甲氧基甲基)-2-丙烯腈 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 3-甲氧基-2-(甲氧基甲基)-2-丙烯腈?
The CAS number of 3-甲氧基-2-(甲氧基甲基)-2-丙烯腈 is 1608-82-8.
What is the molecular formula of 3-甲氧基-2-(甲氧基甲基)-2-丙烯腈?
The molecular formula of 3-甲氧基-2-(甲氧基甲基)-2-丙烯腈 is C6H9NO2.
What is the molecular weight of 3-甲氧基-2-(甲氧基甲基)-2-丙烯腈?
The molecular weight of 3-甲氧基-2-(甲氧基甲基)-2-丙烯腈 is 127.06 g/mol.
Where can I buy 3-甲氧基-2-(甲氧基甲基)-2-丙烯腈?
You can request a quote for 3-甲氧基-2-(甲氧基甲基)-2-丙烯腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲氧基-2-(甲氧基甲基)-2-丙烯腈?
Yes, KEHONG BIO provides custom synthesis services for 3-甲氧基-2-(甲氧基甲基)-2-丙烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.