Methyl 4-bromo-2-(tert-butoxycarbonylamino)butanoate
TL;DR: Methyl 4-bromo-2-(tert-butoxycarbonylamino)butanoate (CAS 177472-33-2) is a chemical compound with molecular formula C10H18BrNO4 and molecular weight 295.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Also Known As: nchembio804-comp9, 2-(Boc-amino)-4-bromobutyric acid methyl ester, Methyl (S)-2-(Boc-amino)-4-bromobutyrate, Methyl 4-bromo-2-(tert-butoxycarbonylamino)butanoate, 2-(tert-butoxycarbonylamino)-4-bromobutanoic acid methyl ester
| Molecular Formula | C10H18BrNO4 |
|---|---|
| Molecular Weight | 295.04 g/mol |
| LogP | 1.8377 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.04193 |
| Heavy Atoms | 16 |
| Complexity | 249.6938 |
Chemical Identifiers
| CAS Number | 177472-33-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CCBr)C(=O)OC |
Product Overview
Methyl 4-bromo-2-(tert-butoxycarbonylamino)butanoate (CAS 177472-33-2), with molecular formula C10H18BrNO4 and molecular weight 295.04 g/mol. IUPAC: methyl 4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
Chemical Property Profile of Methyl 4-bromo-2-(tert-butoxycarbonylamino)butanoate
Property Insights of Methyl 4-bromo-2-(tert-butoxycarbonylamino)butanoate
The XLogP value of 1.8377 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-bromo-2-(tert-butoxycarbonylamino)butanoate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-bromo-2-(tert-butoxycarbonylamino)butanoate. Following Lipinski's Rule of Five, Methyl 4-bromo-2-(tert-butoxycarbonylamino)butanoate 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 4-bromo-2-(tert-butoxycarbonylamino)butanoate?
The CAS number of Methyl 4-bromo-2-(tert-butoxycarbonylamino)butanoate is 177472-33-2.
What is the molecular formula of Methyl 4-bromo-2-(tert-butoxycarbonylamino)butanoate?
The molecular formula of Methyl 4-bromo-2-(tert-butoxycarbonylamino)butanoate is C10H18BrNO4.
What is the molecular weight of Methyl 4-bromo-2-(tert-butoxycarbonylamino)butanoate?
The molecular weight of Methyl 4-bromo-2-(tert-butoxycarbonylamino)butanoate is 295.04 g/mol.
Where can I buy Methyl 4-bromo-2-(tert-butoxycarbonylamino)butanoate?
You can request a quote for Methyl 4-bromo-2-(tert-butoxycarbonylamino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-bromo-2-(tert-butoxycarbonylamino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-bromo-2-(tert-butoxycarbonylamino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.