4-胍基丁醛
TL;DR: 4-胍基丁醛 (CAS 14049-14-0) is a chemical compound with molecular formula C5H11N3O and molecular weight 129.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-胍基丁醛
2-(4-oxobutyl)guanidine
Also Known As: 4-guanidinobutanal, N-(4-oxobutyl)guanidine, 1-(4-oxobutyl)guanidine, 2-(4-oxobutyl)guanidine, 4-guanidinobutyraldehyde
| Molecular Formula | C5H11N3O |
|---|---|
| Molecular Weight | 129.09 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 129.09021 |
| Heavy Atoms | 9 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 14049-14-0 |
|---|---|
| SMILES | C(CC=O)CN=C(N)N |
| InChIKey | VCOFTLCIPLEZKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-胍基丁醛 (CAS 14049-14-0), with molecular formula C5H11N3O and molecular weight 129.09 g/mol. IUPAC: 2-(4-oxobutyl)guanidine.
Chemical Property Profile of 4-胍基丁醛
Property Insights of 4-胍基丁醛
The XLogP value of -1.5 indicates that 4-胍基丁醛 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-胍基丁醛. Following Lipinski's Rule of Five, 4-胍基丁醛 has 2 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 4-胍基丁醛?
The CAS number of 4-胍基丁醛 is 14049-14-0.
What is the molecular formula of 4-胍基丁醛?
The molecular formula of 4-胍基丁醛 is C5H11N3O.
What is the molecular weight of 4-胍基丁醛?
The molecular weight of 4-胍基丁醛 is 129.09 g/mol.
Where can I buy 4-胍基丁醛?
You can request a quote for 4-胍基丁醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-胍基丁醛?
Yes, KEHONG BIO provides custom synthesis services for 4-胍基丁醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.