N-Boc-3-Iodo-L-alanine benzyl ester
TL;DR: N-Boc-3-Iodo-L-alanine benzyl ester (CAS 206867-89-2) is a chemical compound with molecular formula C15H20INO4 and molecular weight 405.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (2R)-3-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: N-Boc-3-Iodo-L-alanine benzyl ester, Boc-, A-iodo-Ala-OBzl, Boc-beta-iodo-Ala-OBzl, (R)-Benzyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate
| Molecular Formula | C15H20INO4 |
|---|---|
| Molecular Weight | 405.04 g/mol |
| LogP | 3.0581 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.0437 |
| Heavy Atoms | 21 |
| Complexity | 470.312 |
Chemical Identifiers
| CAS Number | 206867-89-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CI)C(=O)OCC1=CC=CC=C1 |
Product Overview
N-Boc-3-Iodo-L-alanine benzyl ester (CAS 206867-89-2), with molecular formula C15H20INO4 and molecular weight 405.04 g/mol. IUPAC: benzyl (2R)-3-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of N-Boc-3-Iodo-L-alanine benzyl ester
Property Insights of N-Boc-3-Iodo-L-alanine benzyl ester
The XLogP value of 3.0581 indicates that N-Boc-3-Iodo-L-alanine benzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Boc-3-Iodo-L-alanine benzyl ester. Following Lipinski's Rule of Five, N-Boc-3-Iodo-L-alanine benzyl ester has 1 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-Boc-3-Iodo-L-alanine benzyl ester?
The CAS number of N-Boc-3-Iodo-L-alanine benzyl ester is 206867-89-2.
What is the molecular formula of N-Boc-3-Iodo-L-alanine benzyl ester?
The molecular formula of N-Boc-3-Iodo-L-alanine benzyl ester is C15H20INO4.
What is the molecular weight of N-Boc-3-Iodo-L-alanine benzyl ester?
The molecular weight of N-Boc-3-Iodo-L-alanine benzyl ester is 405.04 g/mol.
Where can I buy N-Boc-3-Iodo-L-alanine benzyl ester?
You can request a quote for N-Boc-3-Iodo-L-alanine benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Boc-3-Iodo-L-alanine benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-Boc-3-Iodo-L-alanine benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.