4-氰基丁基-4'-氟丁基醚
TL;DR: 4-氰基丁基-4'-氟丁基醚 (CAS 463-31-0) is a chemical compound with molecular formula C9H16FNO and molecular weight 173.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氰基丁基-4'-氟丁基醚
5-(4-fluorobutoxy)pentanenitrile
Also Known As: 5-(4-fluorobutoxy)pentanenitrile, 4-Fluoro-4'-cyanodibutyl ether, 4-Cyano-4'-fluorodibutyl ether, 4-Cyanobutyl 4-fluorobutyl ether, ETHER, 4-CYANOBUTYL 4'-FLUOROBUTYL
| Molecular Formula | C9H16FNO |
|---|---|
| Molecular Weight | 173.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 173.1216 |
| Heavy Atoms | 12 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 463-31-0 |
|---|---|
| SMILES | C(CCOCCCCF)CC#N |
| InChIKey | VQQZZGDDUPEHAX-UHFFFAOYSA-N |
Product Overview
4-氰基丁基-4'-氟丁基醚 (CAS 463-31-0), with molecular formula C9H16FNO and molecular weight 173.12 g/mol. IUPAC: 5-(4-fluorobutoxy)pentanenitrile.
Chemical Property Profile of 4-氰基丁基-4'-氟丁基醚
Property Insights of 4-氰基丁基-4'-氟丁基醚
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氰基丁基-4'-氟丁基醚. With a topological polar surface area (TPSA) of 33.0 Ų, 4-氰基丁基-4'-氟丁基醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氰基丁基-4'-氟丁基醚 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 4-氰基丁基-4'-氟丁基醚?
The CAS number of 4-氰基丁基-4'-氟丁基醚 is 463-31-0.
What is the molecular formula of 4-氰基丁基-4'-氟丁基醚?
The molecular formula of 4-氰基丁基-4'-氟丁基醚 is C9H16FNO.
What is the molecular weight of 4-氰基丁基-4'-氟丁基醚?
The molecular weight of 4-氰基丁基-4'-氟丁基醚 is 173.12 g/mol.
Where can I buy 4-氰基丁基-4'-氟丁基醚?
You can request a quote for 4-氰基丁基-4'-氟丁基醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氰基丁基-4'-氟丁基醚?
Yes, KEHONG BIO provides custom synthesis services for 4-氰基丁基-4'-氟丁基醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.