Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate
TL;DR: Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate (CAS 170848-34-7) is a chemical compound with molecular formula C9H16INO4 and molecular weight 329.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate, Boc-beta-iodo-Ala-OMe, Boc-b-iodo-Ala-OMe, Boc-, A-iodo-Ala-OMe
| Molecular Formula | C9H16INO4 |
|---|---|
| Molecular Weight | 329.01 g/mol |
| LogP | 1.4877 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.01242 |
| Heavy Atoms | 15 |
| Complexity | 236.75706 |
Chemical Identifiers
| CAS Number | 170848-34-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CI)C(=O)OC |
Product Overview
Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate (CAS 170848-34-7), with molecular formula C9H16INO4 and molecular weight 329.01 g/mol. IUPAC: methyl 3-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate
Property Insights of Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate
The XLogP value of 1.4877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate. Following Lipinski's Rule of Five, Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate 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 Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate?
The CAS number of Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate is 170848-34-7.
What is the molecular formula of Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate?
The molecular formula of Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate is C9H16INO4.
What is the molecular weight of Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate?
The molecular weight of Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate is 329.01 g/mol.
Where can I buy Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate?
You can request a quote for Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.