Benzoylthreonine
TL;DR: Benzoylthreonine (CAS 7469-23-0) 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.
2-benzamido-3-hydroxybutanoic acid
Also Known As: N-Benzoyl-DL-threonine, benzoylthreonine, N-Benzoyl-L-threonine, N-Benzoylthreonine #, N-Benzoyl-D-threonine
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 7469-23-0 |
|---|---|
| SMILES | CC(C(C(=O)O)NC(=O)C1=CC=CC=C1)O |
| InChIKey | IOQIWWTVXOPYQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoylthreonine (CAS 7469-23-0), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: 2-benzamido-3-hydroxybutanoic acid.
Chemical Property Profile of Benzoylthreonine
Property Insights of Benzoylthreonine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoylthreonine. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoylthreonine. Following Lipinski's Rule of Five, Benzoylthreonine 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 Benzoylthreonine?
The CAS number of Benzoylthreonine is 7469-23-0.
What is the molecular formula of Benzoylthreonine?
The molecular formula of Benzoylthreonine is C11H13NO4.
What is the molecular weight of Benzoylthreonine?
The molecular weight of Benzoylthreonine is 223.08 g/mol.
Where can I buy Benzoylthreonine?
You can request a quote for Benzoylthreonine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoylthreonine?
Yes, KEHONG BIO provides custom synthesis services for Benzoylthreonine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.