ZERO/004591
TL;DR: ZERO/004591 (CAS 890091-67-5) is a chemical compound with molecular formula C9H8N4O2 and molecular weight 204.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-aminospiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
Also Known As: ZERO/004591, 4-aminospiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]dioxolane]-1,5-dicarbonitrile, 4-AMINO-3-AZASPIRO[BICYCLO[3.1.0]HEXANE-2,2'-[1,3]DIOXOLAN]-3-ENE-1,5-DICARBONITRILE, 2'-aminospiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile, 4-Aminospiro[3-azabicyclo[3.1.0]hex-3-ene-2,2a(2)-[1,3]dioxolane]-1,5-dicarbonitrile
| Molecular Formula | C9H8N4O2 |
|---|---|
| Molecular Weight | 204.06 g/mol |
| LogP | -0.51854 |
| Topological Polar Surface Area | 104.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.06473 |
| Heavy Atoms | 15 |
| Complexity | 453.71326 |
Chemical Identifiers
| CAS Number | 890091-67-5 |
|---|---|
| SMILES | C1COC2(O1)C3(CC3(C(=N2)N)C#N)C#N |
Product Overview
ZERO/004591 (CAS 890091-67-5), with molecular formula C9H8N4O2 and molecular weight 204.06 g/mol. IUPAC: 2'-aminospiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile.
Chemical Property Profile of ZERO/004591
Property Insights of ZERO/004591
The XLogP value of -0.51854 indicates that ZERO/004591 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ZERO/004591. Following Lipinski's Rule of Five, ZERO/004591 has 1 hydrogen bond donor(s) and 6 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 ZERO/004591?
The CAS number of ZERO/004591 is 890091-67-5.
What is the molecular formula of ZERO/004591?
The molecular formula of ZERO/004591 is C9H8N4O2.
What is the molecular weight of ZERO/004591?
The molecular weight of ZERO/004591 is 204.06 g/mol.
Where can I buy ZERO/004591?
You can request a quote for ZERO/004591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ZERO/004591?
Yes, KEHONG BIO provides custom synthesis services for ZERO/004591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.