3-(异癸氧基)丙腈
TL;DR: 3-(异癸氧基)丙腈 (CAS 64354-92-3) is a chemical compound with molecular formula C13H25NO and molecular weight 211.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(异癸氧基)丙腈
3-(8-methylnonoxy)propanenitrile
Also Known As: 3-Isodecoxypropionitrile, Propanenitrile, 3-(isodecyloxy)-, 3-(Isodecyloxy)propanenitrile, 3- propiononitrile, 3-(Isodecyloxy)propiononitrile
| Molecular Formula | C13H25NO |
|---|---|
| Molecular Weight | 211.19 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 211.19362 |
| Heavy Atoms | 15 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 64354-92-3 |
|---|---|
| SMILES | CC(C)CCCCCCCOCCC#N |
| InChIKey | XDCQMQXLBGPTHH-UHFFFAOYSA-N |
Product Overview
3-(异癸氧基)丙腈 (CAS 64354-92-3), with molecular formula C13H25NO and molecular weight 211.19 g/mol. IUPAC: 3-(8-methylnonoxy)propanenitrile.
Chemical Property Profile of 3-(异癸氧基)丙腈
Property Insights of 3-(异癸氧基)丙腈
The XLogP value of 4.0 indicates that 3-(异癸氧基)丙腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 3-(异癸氧基)丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(异癸氧基)丙腈 has 0 hydrogen bond donor(s) and 2 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-(异癸氧基)丙腈?
The CAS number of 3-(异癸氧基)丙腈 is 64354-92-3.
What is the molecular formula of 3-(异癸氧基)丙腈?
The molecular formula of 3-(异癸氧基)丙腈 is C13H25NO.
What is the molecular weight of 3-(异癸氧基)丙腈?
The molecular weight of 3-(异癸氧基)丙腈 is 211.19 g/mol.
Where can I buy 3-(异癸氧基)丙腈?
You can request a quote for 3-(异癸氧基)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-(异癸氧基)丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-(异癸氧基)丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.