![7-(3-Chloro-4-methylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione structure](/static/products/4462/446259-34-3.webp)
7-(3-Chloro-4-methylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione
TL;DR: 7-(3-Chloro-4-methylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione (CAS 446259-34-3) is a chemical compound with molecular formula C13H12ClN3O2 and molecular weight 277.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3-chloro-4-methylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione
Also Known As: BAS 05014809, BRD-A84930157-001-01-3, 7-(3-chloro-4-methylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione, 8-(3-chloro-4-methylphenyl)-3,4,8-triazaspiro[4.4]non-3-ene-7,9-dione, 7-(3-Chloro-4-methyl-phenyl)-1,2,7-triaza-spiro[4.4]non-1-ene-6,8-dione
| Molecular Formula | C13H12ClN3O2 |
|---|---|
| Molecular Weight | 277.06 g/mol |
| LogP | 2.50642 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.0618 |
| Heavy Atoms | 19 |
| Complexity | 613.90594 |
Chemical Identifiers
| CAS Number | 446259-34-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)CC3(C2=O)CCN=N3)Cl |
Product Overview
7-(3-Chloro-4-methylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione (CAS 446259-34-3), with molecular formula C13H12ClN3O2 and molecular weight 277.06 g/mol. IUPAC: 7-(3-chloro-4-methylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione.
Chemical Property Profile of 7-(3-Chloro-4-methylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione
Property Insights of 7-(3-Chloro-4-methylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione
The XLogP value of 2.50642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(3-Chloro-4-methylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-Chloro-4-methylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione. Following Lipinski's Rule of Five, 7-(3-Chloro-4-methylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione has 0 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 7-(3-Chloro-4-methylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione?
The CAS number of 7-(3-Chloro-4-methylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione is 446259-34-3.
What is the molecular formula of 7-(3-Chloro-4-methylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione?
The molecular formula of 7-(3-Chloro-4-methylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione is C13H12ClN3O2.
What is the molecular weight of 7-(3-Chloro-4-methylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione?
The molecular weight of 7-(3-Chloro-4-methylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione is 277.06 g/mol.
Where can I buy 7-(3-Chloro-4-methylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione?
You can request a quote for 7-(3-Chloro-4-methylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(3-Chloro-4-methylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-Chloro-4-methylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.