3-Bromo-1-butene
TL;DR: 3-Bromo-1-butene (CAS 158690-75-6) is a chemical compound with molecular formula C21H30N2O8 and molecular weight 438.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(2-methylpropan-2-yl)oxy]-1-(2-nitrophenyl)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Also Known As: 3-Bromo-1-butene, [2-[(2-methylpropan-2-yl)oxy]-1-(2-nitrophenyl)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate, alpha-[4-[[(1,1-Dimethylethoxy)carbonyl]amino]-1-oxobutoxy]-2-nitro-, 1,1-dimethylethyl ester benzeneacetic acid, 2-tert-Butoxy-1-(2-nitrophenyl)-2-oxoethyl 4-[(tert-butoxycarbonyl)amino]butanoate, Alpha-[4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxobutoxy]-2-nitro-,1,1-dimethylethyl ester benzeneacetic acid
| Molecular Formula | C21H30N2O8 |
|---|---|
| Molecular Weight | 438.20 g/mol |
| LogP | 3.8257 |
| Topological Polar Surface Area | 134.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.20023 |
| Heavy Atoms | 31 |
| Complexity | 808.3331 |
Chemical Identifiers
| CAS Number | 158690-75-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(C1=CC=CC=C1[N+](=O)[O-])OC(=O)CCCNC(=O)OC(C)(C)C |
Product Overview
3-Bromo-1-butene (CAS 158690-75-6), with molecular formula C21H30N2O8 and molecular weight 438.20 g/mol. IUPAC: [2-[(2-methylpropan-2-yl)oxy]-1-(2-nitrophenyl)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
Chemical Property Profile of 3-Bromo-1-butene
Property Insights of 3-Bromo-1-butene
The XLogP value of 3.8257 indicates that 3-Bromo-1-butene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-1-butene. Following Lipinski's Rule of Five, 3-Bromo-1-butene has 1 hydrogen bond donor(s) and 8 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-Bromo-1-butene?
The CAS number of 3-Bromo-1-butene is 158690-75-6.
What is the molecular formula of 3-Bromo-1-butene?
The molecular formula of 3-Bromo-1-butene is C21H30N2O8.
What is the molecular weight of 3-Bromo-1-butene?
The molecular weight of 3-Bromo-1-butene is 438.20 g/mol.
Where can I buy 3-Bromo-1-butene?
You can request a quote for 3-Bromo-1-butene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-1-butene?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-1-butene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.