H-Ile-obzl P-tosylate
TL;DR: H-Ile-obzl P-tosylate (CAS 42406-72-4) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-amino-3-methylpentanoate
Also Known As: Benzyl L-isoleucinate, H-ILE-OBZL P-TOSYLATE, benzyl 2-amino-3-methylpentanoate, benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 42406-72-4 |
|---|---|
| SMILES | CCC(C)C(C(=O)OCC1=CC=CC=C1)N |
| InChIKey | TZPOCDBWQWIDSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
H-Ile-obzl P-tosylate (CAS 42406-72-4), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: benzyl 2-amino-3-methylpentanoate.
Chemical Property Profile of H-Ile-obzl P-tosylate
Property Insights of H-Ile-obzl P-tosylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for H-Ile-obzl P-tosylate. With a topological polar surface area (TPSA) of 52.3 Ų, H-Ile-obzl P-tosylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, H-Ile-obzl P-tosylate has 1 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 H-Ile-obzl P-tosylate?
The CAS number of H-Ile-obzl P-tosylate is 42406-72-4.
What is the molecular formula of H-Ile-obzl P-tosylate?
The molecular formula of H-Ile-obzl P-tosylate is C13H19NO2.
What is the molecular weight of H-Ile-obzl P-tosylate?
The molecular weight of H-Ile-obzl P-tosylate is 221.14 g/mol.
Where can I buy H-Ile-obzl P-tosylate?
You can request a quote for H-Ile-obzl P-tosylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for H-Ile-obzl P-tosylate?
Yes, KEHONG BIO provides custom synthesis services for H-Ile-obzl P-tosylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.