![3-(4-Methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one structure](/static/products/887/887220-99-7.png)
3-(4-Methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
TL;DR: 3-(4-Methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one (CAS 887220-99-7) is a chemical compound with molecular formula C14H17N3O and molecular weight 243.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Also Known As: 3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one, 3-(p-tolyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one, VU0421892-2, 3-(p-tolyl)-1,4,8-triazaspiro4.5dec-3-en-2-one, F3062-0003
| Molecular Formula | C14H17N3O |
|---|---|
| Molecular Weight | 243.14 g/mol |
| LogP | 0.99362 |
| Topological Polar Surface Area | 53.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.13716 |
| Heavy Atoms | 18 |
| Complexity | 498.27533 |
Chemical Identifiers
| CAS Number | 887220-99-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3(CCNCC3)NC2=O |
Product Overview
3-(4-Methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one (CAS 887220-99-7), with molecular formula C14H17N3O and molecular weight 243.14 g/mol. IUPAC: 3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one.
Chemical Property Profile of 3-(4-Methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Property Insights of 3-(4-Methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
The XLogP value of 0.99362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one. With a topological polar surface area (TPSA) of 53.49 Ų, 3-(4-Methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one has 2 hydrogen bond donor(s) and 3 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-(4-Methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one?
The CAS number of 3-(4-Methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one is 887220-99-7.
What is the molecular formula of 3-(4-Methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one?
The molecular formula of 3-(4-Methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one is C14H17N3O.
What is the molecular weight of 3-(4-Methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one?
The molecular weight of 3-(4-Methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one is 243.14 g/mol.
Where can I buy 3-(4-Methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one?
You can request a quote for 3-(4-Methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.