4-氰基丁酸
TL;DR: 4-氰基丁酸 (CAS 39201-33-7) is a chemical compound with molecular formula C5H7NO2 and molecular weight 113.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氰基丁酸
4-cyanobutanoic acid
Also Known As: 4-CYANOBUTANOIC ACID, 4-cyanobutyric acid, 4-cyanobutyrate, Butanoic acid, 4-cyano-, 4-CYANOBUTANOICACID
| Molecular Formula | C5H7NO2 |
|---|---|
| Molecular Weight | 113.05 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 113.047676 |
| Heavy Atoms | 8 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 39201-33-7 |
|---|---|
| SMILES | C(CC#N)CC(=O)O |
| InChIKey | YXBVMSQDRLXPQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氰基丁酸 (CAS 39201-33-7), with molecular formula C5H7NO2 and molecular weight 113.05 g/mol. IUPAC: 4-cyanobutanoic acid.
Chemical Property Profile of 4-氰基丁酸
Property Insights of 4-氰基丁酸
The XLogP value of -0.2 indicates that 4-氰基丁酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-氰基丁酸. Following Lipinski's Rule of Five, 4-氰基丁酸 has 1 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-氰基丁酸?
The CAS number of 4-氰基丁酸 is 39201-33-7.
What is the molecular formula of 4-氰基丁酸?
The molecular formula of 4-氰基丁酸 is C5H7NO2.
What is the molecular weight of 4-氰基丁酸?
The molecular weight of 4-氰基丁酸 is 113.05 g/mol.
Where can I buy 4-氰基丁酸?
You can request a quote for 4-氰基丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氰基丁酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氰基丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.