2-amino-2-oxoethyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate
TL;DR: 2-amino-2-oxoethyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate (CAS 1005694-05-2) is a chemical compound with molecular formula C8H10BrN3O3 and molecular weight 274.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-2-oxoethyl) 3-(4-bromopyrazol-1-yl)propanoate
Also Known As: 2-amino-2-oxoethyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate, carbamoylmethyl 3-(4-bromopyrazolyl)propanoate, Carbamoylmethyl 3-(4-bromopyrazol-1-yl)propanoate, (2-amino-2-oxoethyl) 3-(4-bromopyrazol-1-yl)propanoate
| Molecular Formula | C8H10BrN3O3 |
|---|---|
| Molecular Weight | 274.99 g/mol |
| LogP | 0.0642 |
| Topological Polar Surface Area | 87.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.99054 |
| Heavy Atoms | 15 |
| Complexity | 363.7688 |
Chemical Identifiers
| CAS Number | 1005694-05-2 |
|---|---|
| SMILES | C1=C(C=NN1CCC(=O)OCC(=O)N)Br |
Product Overview
2-amino-2-oxoethyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate (CAS 1005694-05-2), with molecular formula C8H10BrN3O3 and molecular weight 274.99 g/mol. IUPAC: (2-amino-2-oxoethyl) 3-(4-bromopyrazol-1-yl)propanoate.
Chemical Property Profile of 2-amino-2-oxoethyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate
Property Insights of 2-amino-2-oxoethyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate
The XLogP value of 0.0642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-2-oxoethyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate. The TPSA of 87.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-2-oxoethyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate. Following Lipinski's Rule of Five, 2-amino-2-oxoethyl 3-(4-bromo-1H-pyrazol-1-yl)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 2-amino-2-oxoethyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate?
The CAS number of 2-amino-2-oxoethyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate is 1005694-05-2.
What is the molecular formula of 2-amino-2-oxoethyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate?
The molecular formula of 2-amino-2-oxoethyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate is C8H10BrN3O3.
What is the molecular weight of 2-amino-2-oxoethyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate?
The molecular weight of 2-amino-2-oxoethyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate is 274.99 g/mol.
Where can I buy 2-amino-2-oxoethyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate?
You can request a quote for 2-amino-2-oxoethyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-2-oxoethyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-2-oxoethyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.