4-Amino-4-oxobut-2-enoic acid;styrene
TL;DR: 4-Amino-4-oxobut-2-enoic acid;styrene (CAS 30053-93-1) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-4-oxobut-2-enoic acid;styrene
Also Known As: (E)-3-carbamoylprop-2-enoic acid; styrene
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.4421 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 30053-93-1 |
|---|---|
| SMILES | C=CC1=CC=CC=C1.C(=CC(=O)O)C(=O)N |
| InChIKey | BCJMVOVFCJGRAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-4-oxobut-2-enoic acid;styrene (CAS 30053-93-1), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: 4-amino-4-oxobut-2-enoic acid;styrene.
Chemical Property Profile of 4-Amino-4-oxobut-2-enoic acid;styrene
Property Insights of 4-Amino-4-oxobut-2-enoic acid;styrene
The XLogP value of 1.4421 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-4-oxobut-2-enoic acid;styrene. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-4-oxobut-2-enoic acid;styrene. Following Lipinski's Rule of Five, 4-Amino-4-oxobut-2-enoic acid;styrene 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-Amino-4-oxobut-2-enoic acid;styrene?
The CAS number of 4-Amino-4-oxobut-2-enoic acid;styrene is 30053-93-1.
What is the molecular formula of 4-Amino-4-oxobut-2-enoic acid;styrene?
The molecular formula of 4-Amino-4-oxobut-2-enoic acid;styrene is C12H13NO3.
What is the molecular weight of 4-Amino-4-oxobut-2-enoic acid;styrene?
The molecular weight of 4-Amino-4-oxobut-2-enoic acid;styrene is 219.09 g/mol.
Where can I buy 4-Amino-4-oxobut-2-enoic acid;styrene?
You can request a quote for 4-Amino-4-oxobut-2-enoic acid;styrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-4-oxobut-2-enoic acid;styrene?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-4-oxobut-2-enoic acid;styrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.