![3-(4-Bromophenyl)-2-{[tert-butoxy(hydroxy)methylidene]amino}propanoate structure](/static/products/621/62129-39-9.png)
3-(4-Bromophenyl)-2-{[tert-butoxy(hydroxy)methylidene]amino}propanoate
TL;DR: 3-(4-Bromophenyl)-2-{[tert-butoxy(hydroxy)methylidene]amino}propanoate (CAS 62129-39-9) is a chemical compound with molecular formula C14H17BrNO4- and molecular weight 342.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: 3-(4-Bromophenyl)-2-{[tert-butoxy(hydroxy)methylidene]amino}propanoate, (2S)-3-(4-Bromophenyl)-2-{[tert-butoxy(hydroxy)methylidene]amino}propanoate
| Molecular Formula | C14H17BrNO4- |
|---|---|
| Molecular Weight | 342.03 g/mol |
| LogP | 1.6348 |
| Topological Polar Surface Area | 78.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.0341 |
| Heavy Atoms | 20 |
| Complexity | 478.9424 |
Chemical Identifiers
| CAS Number | 62129-39-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)Br)C(=O)[O-] |
Product Overview
3-(4-Bromophenyl)-2-{[tert-butoxy(hydroxy)methylidene]amino}propanoate (CAS 62129-39-9), with molecular formula C14H17BrNO4- and molecular weight 342.03 g/mol. IUPAC: (2S)-3-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of 3-(4-Bromophenyl)-2-{[tert-butoxy(hydroxy)methylidene]amino}propanoate
Property Insights of 3-(4-Bromophenyl)-2-{[tert-butoxy(hydroxy)methylidene]amino}propanoate
The XLogP value of 1.6348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Bromophenyl)-2-{[tert-butoxy(hydroxy)methylidene]amino}propanoate. The TPSA of 78.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Bromophenyl)-2-{[tert-butoxy(hydroxy)methylidene]amino}propanoate. Following Lipinski's Rule of Five, 3-(4-Bromophenyl)-2-{[tert-butoxy(hydroxy)methylidene]amino}propanoate 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 3-(4-Bromophenyl)-2-{[tert-butoxy(hydroxy)methylidene]amino}propanoate?
The CAS number of 3-(4-Bromophenyl)-2-{[tert-butoxy(hydroxy)methylidene]amino}propanoate is 62129-39-9.
What is the molecular formula of 3-(4-Bromophenyl)-2-{[tert-butoxy(hydroxy)methylidene]amino}propanoate?
The molecular formula of 3-(4-Bromophenyl)-2-{[tert-butoxy(hydroxy)methylidene]amino}propanoate is C14H17BrNO4-.
What is the molecular weight of 3-(4-Bromophenyl)-2-{[tert-butoxy(hydroxy)methylidene]amino}propanoate?
The molecular weight of 3-(4-Bromophenyl)-2-{[tert-butoxy(hydroxy)methylidene]amino}propanoate is 342.03 g/mol.
Where can I buy 3-(4-Bromophenyl)-2-{[tert-butoxy(hydroxy)methylidene]amino}propanoate?
You can request a quote for 3-(4-Bromophenyl)-2-{[tert-butoxy(hydroxy)methylidene]amino}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Bromophenyl)-2-{[tert-butoxy(hydroxy)methylidene]amino}propanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromophenyl)-2-{[tert-butoxy(hydroxy)methylidene]amino}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.