N-Boc-3-iodo-DL-alanine benzyl ester
TL;DR: N-Boc-3-iodo-DL-alanine benzyl ester (CAS 125942-79-2) is a chemical compound with molecular formula C15H20INO4 and molecular weight 405.0437 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 3-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: N-Boc-3-iodo-DL-alanine benzyl ester, Boc- -iodo-Ala-OBzl, Boc-beta-iodo-D-Ala-OBzl, N-Boc-3-Iodo-L-alanine benzyl ester, N-Boc-3-iodo-DL-alaninebenzylester
Technical Specifications
| Molecular Formula | C15H20INO4 |
| Molecular Weight | 405.0437 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 405.0437 Da |
| Heavy Atoms | 21 |
| Complexity | 348.0 |
| SMILES | CC(C)(C)OC(=O)NC(CI)C(=O)OCC1=CC=CC=C1 |
| InChIKey | DDXFSYLOWHQCEK-UHFFFAOYSA-N |
Chemical Property Profile of N-Boc-3-iodo-DL-alanine benzyl ester
Property Insights of N-Boc-3-iodo-DL-alanine benzyl ester
The XLogP value of 3.5 indicates that N-Boc-3-iodo-DL-alanine benzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Boc-3-iodo-DL-alanine benzyl ester. Following Lipinski's Rule of Five, N-Boc-3-iodo-DL-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
What is the CAS number of N-Boc-3-iodo-DL-alanine benzyl ester?
The CAS number of N-Boc-3-iodo-DL-alanine benzyl ester is 125942-79-2.
What is the molecular formula of N-Boc-3-iodo-DL-alanine benzyl ester?
The molecular formula of N-Boc-3-iodo-DL-alanine benzyl ester is C15H20INO4.
What is the molecular weight of N-Boc-3-iodo-DL-alanine benzyl ester?
The molecular weight of N-Boc-3-iodo-DL-alanine benzyl ester is 405.0437 g/mol.
Where can I buy N-Boc-3-iodo-DL-alanine benzyl ester?
You can request a quote for N-Boc-3-iodo-DL-alanine benzyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Boc-3-iodo-DL-alanine benzyl ester?
Yes, CoreyChem provides custom synthesis services for N-Boc-3-iodo-DL-alanine benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.