4-(1-Naphthalenylamino)-4-oxo-2-butenoic acid
TL;DR: 4-(1-Naphthalenylamino)-4-oxo-2-butenoic acid (CAS 6973-77-9) is a chemical compound with molecular formula C14H11NO3 and molecular weight 241.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(naphthalen-1-ylamino)-4-oxobut-2-enoic acid
Also Known As: 4-(naphthalen-1-ylamino)-4-oxobut-2-enoic acid, N-(alpha-NAPHTHYL)MALEAMIC ACID, 4-(1-naphthylamino)-4-oxobut-2-enoic acid, (Z)-4-(naphthalen-1-ylamino)-4-oxobut-2-enoic acid, 4-(1-Naphthalenylamino)-4-oxo-2-butenoic acid
| Molecular Formula | C14H11NO3 |
|---|---|
| Molecular Weight | 241.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.0739 |
| Heavy Atoms | 18 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 6973-77-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2NC(=O)C=CC(=O)O |
| InChIKey | DNIIAZFRGKFYSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(1-Naphthalenylamino)-4-oxo-2-butenoic acid (CAS 6973-77-9), with molecular formula C14H11NO3 and molecular weight 241.07 g/mol. IUPAC: 4-(naphthalen-1-ylamino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(1-Naphthalenylamino)-4-oxo-2-butenoic acid
Property Insights of 4-(1-Naphthalenylamino)-4-oxo-2-butenoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-Naphthalenylamino)-4-oxo-2-butenoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-Naphthalenylamino)-4-oxo-2-butenoic acid. Following Lipinski's Rule of Five, 4-(1-Naphthalenylamino)-4-oxo-2-butenoic 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 4-(1-Naphthalenylamino)-4-oxo-2-butenoic acid?
The CAS number of 4-(1-Naphthalenylamino)-4-oxo-2-butenoic acid is 6973-77-9.
What is the molecular formula of 4-(1-Naphthalenylamino)-4-oxo-2-butenoic acid?
The molecular formula of 4-(1-Naphthalenylamino)-4-oxo-2-butenoic acid is C14H11NO3.
What is the molecular weight of 4-(1-Naphthalenylamino)-4-oxo-2-butenoic acid?
The molecular weight of 4-(1-Naphthalenylamino)-4-oxo-2-butenoic acid is 241.07 g/mol.
Where can I buy 4-(1-Naphthalenylamino)-4-oxo-2-butenoic acid?
You can request a quote for 4-(1-Naphthalenylamino)-4-oxo-2-butenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Naphthalenylamino)-4-oxo-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Naphthalenylamino)-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.