3-丁氧基丙腈
TL;DR: 3-丁氧基丙腈 (CAS 6959-71-3) is a chemical compound with molecular formula C7H13NO and molecular weight 127.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-丁氧基丙腈
3-butoxypropanenitrile
Also Known As: 3-Butoxypropionitrile, 3-Butoxypropanenitrile, Propanenitrile, 3-butoxy-, 3-n-butoxypropionitrile, 3-Butoxypropiononitrile
| Molecular Formula | C7H13NO |
|---|---|
| Molecular Weight | 127.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 127.09972 |
| Heavy Atoms | 9 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 6959-71-3 |
|---|---|
| SMILES | CCCCOCCC#N |
| InChIKey | AWVNJBFNHGQUQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-丁氧基丙腈 (CAS 6959-71-3), with molecular formula C7H13NO and molecular weight 127.10 g/mol. IUPAC: 3-butoxypropanenitrile.
Chemical Property Profile of 3-丁氧基丙腈
Property Insights of 3-丁氧基丙腈
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-丁氧基丙腈. With a topological polar surface area (TPSA) of 33.0 Ų, 3-丁氧基丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-丁氧基丙腈 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-丁氧基丙腈?
The CAS number of 3-丁氧基丙腈 is 6959-71-3.
What is the molecular formula of 3-丁氧基丙腈?
The molecular formula of 3-丁氧基丙腈 is C7H13NO.
What is the molecular weight of 3-丁氧基丙腈?
The molecular weight of 3-丁氧基丙腈 is 127.10 g/mol.
Where can I buy 3-丁氧基丙腈?
You can request a quote for 3-丁氧基丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-丁氧基丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-丁氧基丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.