4-(苄氨基)-2-羟基-4-氧代丁酸
TL;DR: 4-(苄氨基)-2-羟基-4-氧代丁酸 (CAS 141650-65-9) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(苄氨基)-2-羟基-4-氧代丁酸
4-(benzylamino)-2-hydroxy-4-oxobutanoic acid
Also Known As: 4-(benzylamino)-2-hydroxy-4-oxobutanoic acid, 2-hydroxy-4-oxo-4-[(phenylmethyl)amino]-butanoic acid
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 141650-65-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CC(C(=O)O)O |
| InChIKey | AWENCJBDNVGPNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(苄氨基)-2-羟基-4-氧代丁酸 (CAS 141650-65-9), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: 4-(benzylamino)-2-hydroxy-4-oxobutanoic acid.
Chemical Property Profile of 4-(苄氨基)-2-羟基-4-氧代丁酸
Property Insights of 4-(苄氨基)-2-羟基-4-氧代丁酸
The XLogP value of -0.1 indicates that 4-(苄氨基)-2-羟基-4-氧代丁酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(苄氨基)-2-羟基-4-氧代丁酸. Following Lipinski's Rule of Five, 4-(苄氨基)-2-羟基-4-氧代丁酸 has 3 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 4-(苄氨基)-2-羟基-4-氧代丁酸?
The CAS number of 4-(苄氨基)-2-羟基-4-氧代丁酸 is 141650-65-9.
What is the molecular formula of 4-(苄氨基)-2-羟基-4-氧代丁酸?
The molecular formula of 4-(苄氨基)-2-羟基-4-氧代丁酸 is C11H13NO4.
What is the molecular weight of 4-(苄氨基)-2-羟基-4-氧代丁酸?
The molecular weight of 4-(苄氨基)-2-羟基-4-氧代丁酸 is 223.08 g/mol.
Where can I buy 4-(苄氨基)-2-羟基-4-氧代丁酸?
You can request a quote for 4-(苄氨基)-2-羟基-4-氧代丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(苄氨基)-2-羟基-4-氧代丁酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(苄氨基)-2-羟基-4-氧代丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.