![3-[6-(3-Carboxyprop-2-enoylamino)hexylcarbamoyl]prop-2-enoic acid structure](/static/products/3684/36848-00-7.webp)
3-[6-(3-Carboxyprop-2-enoylamino)hexylcarbamoyl]prop-2-enoic acid
TL;DR: 3-[6-(3-Carboxyprop-2-enoylamino)hexylcarbamoyl]prop-2-enoic acid (CAS 36848-00-7) is a chemical compound with molecular formula C14H20N2O6 and molecular weight 312.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6-(3-carboxyprop-2-enoylamino)hexylamino]-4-oxobut-2-enoic acid
Also Known As: 3-[6-(3-carboxyprop-2-enoylamino)hexylcarbamoyl]prop-2-enoic acid, 4-[6-(3-carboxyprop-2-enoylamino)hexylamino]-4-oxobut-2-enoi, 4-[6-[(4-hydroxy-4-oxobut-2-enoyl)amino]hexylamino]-4-oxobut-2-enoic acid
| Molecular Formula | C14H20N2O6 |
|---|---|
| Molecular Weight | 312.13 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 312.13214 |
| Heavy Atoms | 22 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 36848-00-7 |
|---|---|
| SMILES | C(CCCNC(=O)C=CC(=O)O)CCNC(=O)C=CC(=O)O |
| InChIKey | WPUBWLUSKQXZNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[6-(3-Carboxyprop-2-enoylamino)hexylcarbamoyl]prop-2-enoic acid (CAS 36848-00-7), with molecular formula C14H20N2O6 and molecular weight 312.13 g/mol. IUPAC: 4-[6-(3-carboxyprop-2-enoylamino)hexylamino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 3-[6-(3-Carboxyprop-2-enoylamino)hexylcarbamoyl]prop-2-enoic acid
Property Insights of 3-[6-(3-Carboxyprop-2-enoylamino)hexylcarbamoyl]prop-2-enoic acid
The XLogP value of -0.2 indicates that 3-[6-(3-Carboxyprop-2-enoylamino)hexylcarbamoyl]prop-2-enoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[6-(3-Carboxyprop-2-enoylamino)hexylcarbamoyl]prop-2-enoic acid. Following Lipinski's Rule of Five, 3-[6-(3-Carboxyprop-2-enoylamino)hexylcarbamoyl]prop-2-enoic acid has 4 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 3-[6-(3-Carboxyprop-2-enoylamino)hexylcarbamoyl]prop-2-enoic acid?
The CAS number of 3-[6-(3-Carboxyprop-2-enoylamino)hexylcarbamoyl]prop-2-enoic acid is 36848-00-7.
What is the molecular formula of 3-[6-(3-Carboxyprop-2-enoylamino)hexylcarbamoyl]prop-2-enoic acid?
The molecular formula of 3-[6-(3-Carboxyprop-2-enoylamino)hexylcarbamoyl]prop-2-enoic acid is C14H20N2O6.
What is the molecular weight of 3-[6-(3-Carboxyprop-2-enoylamino)hexylcarbamoyl]prop-2-enoic acid?
The molecular weight of 3-[6-(3-Carboxyprop-2-enoylamino)hexylcarbamoyl]prop-2-enoic acid is 312.13 g/mol.
Where can I buy 3-[6-(3-Carboxyprop-2-enoylamino)hexylcarbamoyl]prop-2-enoic acid?
You can request a quote for 3-[6-(3-Carboxyprop-2-enoylamino)hexylcarbamoyl]prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[6-(3-Carboxyprop-2-enoylamino)hexylcarbamoyl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[6-(3-Carboxyprop-2-enoylamino)hexylcarbamoyl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.