N-托品酮基草氨酸
TL;DR: N-托品酮基草氨酸 (CAS 6961-61-1) is a chemical compound with molecular formula C9H7NO4 and molecular weight 193.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-托品酮基草氨酸
2-oxo-2-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]acetic acid
Also Known As: N-Troponyloxamic acid, oxo[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]acetic acid, 2-oxo-2-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]acetic acid, Acetic acid, oxo((7-oxo-1,3,5-cycloheptatrien-1-yl)amino)-, [(2-oxo-3,5,7-cycloheptatrien-1-yl)amino]oxo-acetic acid
| Molecular Formula | C9H7NO4 |
|---|---|
| Molecular Weight | 193.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.0375 |
| Heavy Atoms | 14 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 6961-61-1 |
|---|---|
| SMILES | C1=CC=C(C(=O)C=C1)NC(=O)C(=O)O |
| InChIKey | JWMCYMFRBJEIIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-托品酮基草氨酸 (CAS 6961-61-1), with molecular formula C9H7NO4 and molecular weight 193.04 g/mol. IUPAC: 2-oxo-2-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]acetic acid.
Chemical Property Profile of N-托品酮基草氨酸
Property Insights of N-托品酮基草氨酸
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-托品酮基草氨酸. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-托品酮基草氨酸. Following Lipinski's Rule of Five, N-托品酮基草氨酸 has 2 hydrogen bond donor(s) and 4 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 N-托品酮基草氨酸?
The CAS number of N-托品酮基草氨酸 is 6961-61-1.
What is the molecular formula of N-托品酮基草氨酸?
The molecular formula of N-托品酮基草氨酸 is C9H7NO4.
What is the molecular weight of N-托品酮基草氨酸?
The molecular weight of N-托品酮基草氨酸 is 193.04 g/mol.
Where can I buy N-托品酮基草氨酸?
You can request a quote for N-托品酮基草氨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-托品酮基草氨酸?
Yes, KEHONG BIO provides custom synthesis services for N-托品酮基草氨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.