Butilfenin
TL;DR: Butilfenin (CAS 66292-52-2) is a chemical compound with molecular formula C16H22N2O5 and molecular weight 322.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(4-butylanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid
Also Known As: Butilfenin, Butilfenine, Butilfeninum, Butilfenino, p-BIDA
| Molecular Formula | C16H22N2O5 |
|---|---|
| Molecular Weight | 322.15 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 322.15286 |
| Heavy Atoms | 23 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 66292-52-2 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)NC(=O)CN(CC(=O)O)CC(=O)O |
| InChIKey | XSYSSUAGVNOMCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butilfenin (CAS 66292-52-2), with molecular formula C16H22N2O5 and molecular weight 322.15 g/mol. IUPAC: 2-[[2-(4-butylanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid.
Chemical Property Profile of Butilfenin
Property Insights of Butilfenin
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butilfenin. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butilfenin. Following Lipinski's Rule of Five, Butilfenin has 3 hydrogen bond donor(s) and 6 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 Butilfenin?
The CAS number of Butilfenin is 66292-52-2.
What is the molecular formula of Butilfenin?
The molecular formula of Butilfenin is C16H22N2O5.
What is the molecular weight of Butilfenin?
The molecular weight of Butilfenin is 322.15 g/mol.
Where can I buy Butilfenin?
You can request a quote for Butilfenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butilfenin?
Yes, KEHONG BIO provides custom synthesis services for Butilfenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.