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6-Bromo-4,5-diazaspiro[2.4]hept-4-ene
TL;DR: 6-Bromo-4,5-diazaspiro[2.4]hept-4-ene (CAS 211738-70-4) is a chemical compound with molecular formula C5H7BrN2 and molecular weight 173.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-4,5-diazaspiro[2.4]hept-4-ene
Also Known As: 6-Bromo-4,5-diazaspiro[2.4]hept-4-ene, 5-bromo-6,7-diazaspiro[2.4]hept-6-ene, 6-Bromo-4,5-diazaspiro[2.4]hept-4-ene #, J1.045.415H, 5-Bromospiro[1-pyrazoline-3,1'-cyclopropane]
| Molecular Formula | C5H7BrN2 |
|---|---|
| Molecular Weight | 173.98 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.97926 |
| Heavy Atoms | 8 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 211738-70-4 |
|---|---|
| SMILES | C1CC12CC(N=N2)Br |
| InChIKey | WDOMXUHCDWZKKX-UHFFFAOYSA-N |
Product Overview
6-Bromo-4,5-diazaspiro[2.4]hept-4-ene (CAS 211738-70-4), with molecular formula C5H7BrN2 and molecular weight 173.98 g/mol. IUPAC: 6-bromo-4,5-diazaspiro[2.4]hept-4-ene.
Chemical Property Profile of 6-Bromo-4,5-diazaspiro[2.4]hept-4-ene
Property Insights of 6-Bromo-4,5-diazaspiro[2.4]hept-4-ene
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromo-4,5-diazaspiro[2.4]hept-4-ene. With a topological polar surface area (TPSA) of 24.7 Ų, 6-Bromo-4,5-diazaspiro[2.4]hept-4-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromo-4,5-diazaspiro[2.4]hept-4-ene has 0 hydrogen bond donor(s) and 2 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 6-Bromo-4,5-diazaspiro[2.4]hept-4-ene?
The CAS number of 6-Bromo-4,5-diazaspiro[2.4]hept-4-ene is 211738-70-4.
What is the molecular formula of 6-Bromo-4,5-diazaspiro[2.4]hept-4-ene?
The molecular formula of 6-Bromo-4,5-diazaspiro[2.4]hept-4-ene is C5H7BrN2.
What is the molecular weight of 6-Bromo-4,5-diazaspiro[2.4]hept-4-ene?
The molecular weight of 6-Bromo-4,5-diazaspiro[2.4]hept-4-ene is 173.98 g/mol.
Where can I buy 6-Bromo-4,5-diazaspiro[2.4]hept-4-ene?
You can request a quote for 6-Bromo-4,5-diazaspiro[2.4]hept-4-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-4,5-diazaspiro[2.4]hept-4-ene?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-4,5-diazaspiro[2.4]hept-4-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.