4-(Butyrylamino)phenyl butyrate
TL;DR: 4-(Butyrylamino)phenyl butyrate (CAS 89573-90-0) is a chemical compound with molecular formula C14H19NO3 and molecular weight 249.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(butanoylamino)phenyl] butanoate
Also Known As: 4-(Butyrylamino)phenyl butyrate, 4-BUTANAMIDOPHENYL BUTANOATE, 4-(Butyrylamino)phenyl butyrate #, [4-(butanoylamino)phenyl] butanoate, Butyric acid 4-(butyrylamino)phenyl ester
| Molecular Formula | C14H19NO3 |
|---|---|
| Molecular Weight | 249.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 249.13649 |
| Heavy Atoms | 18 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 89573-90-0 |
|---|---|
| SMILES | CCCC(=O)NC1=CC=C(C=C1)OC(=O)CCC |
| InChIKey | KJGPWHDSOIETQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Butyrylamino)phenyl butyrate (CAS 89573-90-0), with molecular formula C14H19NO3 and molecular weight 249.14 g/mol. IUPAC: [4-(butanoylamino)phenyl] butanoate.
Chemical Property Profile of 4-(Butyrylamino)phenyl butyrate
Property Insights of 4-(Butyrylamino)phenyl butyrate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Butyrylamino)phenyl butyrate. With a topological polar surface area (TPSA) of 55.4 Ų, 4-(Butyrylamino)phenyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Butyrylamino)phenyl butyrate 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-(Butyrylamino)phenyl butyrate?
The CAS number of 4-(Butyrylamino)phenyl butyrate is 89573-90-0.
What is the molecular formula of 4-(Butyrylamino)phenyl butyrate?
The molecular formula of 4-(Butyrylamino)phenyl butyrate is C14H19NO3.
What is the molecular weight of 4-(Butyrylamino)phenyl butyrate?
The molecular weight of 4-(Butyrylamino)phenyl butyrate is 249.14 g/mol.
Where can I buy 4-(Butyrylamino)phenyl butyrate?
You can request a quote for 4-(Butyrylamino)phenyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Butyrylamino)phenyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Butyrylamino)phenyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.