![6-{[(2E)-3-(2-Furyl)prop-2-enoyl]amino}-hexanoic acid structure](/static/products/3962/39622-79-2.webp)
6-{[(2E)-3-(2-Furyl)prop-2-enoyl]amino}-hexanoic acid
TL;DR: 6-{[(2E)-3-(2-Furyl)prop-2-enoyl]amino}-hexanoic acid (CAS 39622-79-2) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[3-(furan-2-yl)prop-2-enoylamino]hexanoic acid
Also Known As: 2-aminoisophthalic acid, BAS 00226226, 6-(3-(Furan-2-yl)acrylamido)hexanoic acid, 6-[3-(furan-2-yl)prop-2-enoylamino]hexanoic acid, 6-[(2E)-3-(furan-2-yl)prop-2-enamido]hexanoic acid
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 2.054 |
| Topological Polar Surface Area | 79.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 395.13354 |
Chemical Identifiers
| CAS Number | 39622-79-2 |
|---|---|
| SMILES | C1=COC(=C1)C=CC(=O)NCCCCCC(=O)O |
Product Overview
6-{[(2E)-3-(2-Furyl)prop-2-enoyl]amino}-hexanoic acid (CAS 39622-79-2), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: 6-[3-(furan-2-yl)prop-2-enoylamino]hexanoic acid.
Chemical Property Profile of 6-{[(2E)-3-(2-Furyl)prop-2-enoyl]amino}-hexanoic acid
Property Insights of 6-{[(2E)-3-(2-Furyl)prop-2-enoyl]amino}-hexanoic acid
The XLogP value of 2.054 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-{[(2E)-3-(2-Furyl)prop-2-enoyl]amino}-hexanoic acid. The TPSA of 79.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-{[(2E)-3-(2-Furyl)prop-2-enoyl]amino}-hexanoic acid. Following Lipinski's Rule of Five, 6-{[(2E)-3-(2-Furyl)prop-2-enoyl]amino}-hexanoic acid has 2 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 6-{[(2E)-3-(2-Furyl)prop-2-enoyl]amino}-hexanoic acid?
The CAS number of 6-{[(2E)-3-(2-Furyl)prop-2-enoyl]amino}-hexanoic acid is 39622-79-2.
What is the molecular formula of 6-{[(2E)-3-(2-Furyl)prop-2-enoyl]amino}-hexanoic acid?
The molecular formula of 6-{[(2E)-3-(2-Furyl)prop-2-enoyl]amino}-hexanoic acid is C13H17NO4.
What is the molecular weight of 6-{[(2E)-3-(2-Furyl)prop-2-enoyl]amino}-hexanoic acid?
The molecular weight of 6-{[(2E)-3-(2-Furyl)prop-2-enoyl]amino}-hexanoic acid is 251.12 g/mol.
Where can I buy 6-{[(2E)-3-(2-Furyl)prop-2-enoyl]amino}-hexanoic acid?
You can request a quote for 6-{[(2E)-3-(2-Furyl)prop-2-enoyl]amino}-hexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-{[(2E)-3-(2-Furyl)prop-2-enoyl]amino}-hexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-{[(2E)-3-(2-Furyl)prop-2-enoyl]amino}-hexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.