3,3,3-三甲氧基丙腈
TL;DR: 3,3,3-三甲氧基丙腈 (CAS 70138-31-7) is a chemical compound with molecular formula C6H11NO3 and molecular weight 145.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,3-三甲氧基丙腈
3,3,3-trimethoxypropanenitrile
Also Known As: 3,3,3-trimethoxypropanenitrile, 3,3,3-Trimethoxypropionitrile, Propanenitrile,3,3,3-trimethoxy-, 2-cyano-1,1,1-trimethoxyethane, RefChem:90735
| Molecular Formula | C6H11NO3 |
|---|---|
| Molecular Weight | 145.07 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 145.0739 |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 70138-31-7 |
|---|---|
| SMILES | COC(CC#N)(OC)OC |
| InChIKey | IPJDXQYLAATRJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3,3-三甲氧基丙腈 (CAS 70138-31-7), with molecular formula C6H11NO3 and molecular weight 145.07 g/mol. IUPAC: 3,3,3-trimethoxypropanenitrile.
Chemical Property Profile of 3,3,3-三甲氧基丙腈
Property Insights of 3,3,3-三甲氧基丙腈
The XLogP value of -0.4 indicates that 3,3,3-三甲氧基丙腈 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.5 Ų, 3,3,3-三甲氧基丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,3-三甲氧基丙腈 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 3,3,3-三甲氧基丙腈?
The CAS number of 3,3,3-三甲氧基丙腈 is 70138-31-7.
What is the molecular formula of 3,3,3-三甲氧基丙腈?
The molecular formula of 3,3,3-三甲氧基丙腈 is C6H11NO3.
What is the molecular weight of 3,3,3-三甲氧基丙腈?
The molecular weight of 3,3,3-三甲氧基丙腈 is 145.07 g/mol.
Where can I buy 3,3,3-三甲氧基丙腈?
You can request a quote for 3,3,3-三甲氧基丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,3-三甲氧基丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3,3,3-三甲氧基丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.