tert-Butyloxycarbonyl-alanyl-aminoisobutyryl-alanyl methyl ester
TL;DR: tert-Butyloxycarbonyl-alanyl-aminoisobutyryl-alanyl methyl ester (CAS 92950-40-8) is a chemical compound with molecular formula C16H29N3O6 and molecular weight 359.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[(2-amino-2-methylpropanoyl)-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
Also Known As: Baaaome, Boc-ala-aib-ala-ome, tert-Butyloxycarbonyl-alanyl-aminoisobutyryl-alanyl methyl ester, methyl (2S)-2-[(2-amino-2-methylpropanoyl)-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate, methyl n-(tert-butoxycarbonyl)-l-alanyl-n-(2-methylalanyl)-l-alaninate
| Molecular Formula | C16H29N3O6 |
|---|---|
| Molecular Weight | 359.21 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 359.20563 |
| Heavy Atoms | 25 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 92950-40-8 |
|---|---|
| SMILES | C[C@@H](C(=O)N([C@@H](C)C(=O)OC)C(=O)C(C)(C)N)NC(=O)OC(C)(C)C |
| InChIKey | OTKJKZBLJMXFIO-UWVGGRQHSA-N |
Product Overview
tert-Butyloxycarbonyl-alanyl-aminoisobutyryl-alanyl methyl ester (CAS 92950-40-8), with molecular formula C16H29N3O6 and molecular weight 359.21 g/mol. IUPAC: methyl (2S)-2-[(2-amino-2-methylpropanoyl)-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate.
Chemical Property Profile of tert-Butyloxycarbonyl-alanyl-aminoisobutyryl-alanyl methyl ester
Property Insights of tert-Butyloxycarbonyl-alanyl-aminoisobutyryl-alanyl methyl ester
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyloxycarbonyl-alanyl-aminoisobutyryl-alanyl methyl ester. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyloxycarbonyl-alanyl-aminoisobutyryl-alanyl methyl ester. Following Lipinski's Rule of Five, tert-Butyloxycarbonyl-alanyl-aminoisobutyryl-alanyl methyl ester has 2 hydrogen bond donor(s) and 7 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 tert-Butyloxycarbonyl-alanyl-aminoisobutyryl-alanyl methyl ester?
The CAS number of tert-Butyloxycarbonyl-alanyl-aminoisobutyryl-alanyl methyl ester is 92950-40-8.
What is the molecular formula of tert-Butyloxycarbonyl-alanyl-aminoisobutyryl-alanyl methyl ester?
The molecular formula of tert-Butyloxycarbonyl-alanyl-aminoisobutyryl-alanyl methyl ester is C16H29N3O6.
What is the molecular weight of tert-Butyloxycarbonyl-alanyl-aminoisobutyryl-alanyl methyl ester?
The molecular weight of tert-Butyloxycarbonyl-alanyl-aminoisobutyryl-alanyl methyl ester is 359.21 g/mol.
Where can I buy tert-Butyloxycarbonyl-alanyl-aminoisobutyryl-alanyl methyl ester?
You can request a quote for tert-Butyloxycarbonyl-alanyl-aminoisobutyryl-alanyl methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyloxycarbonyl-alanyl-aminoisobutyryl-alanyl methyl ester?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyloxycarbonyl-alanyl-aminoisobutyryl-alanyl methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.