A4108/0175165
TL;DR: A4108/0175165 (CAS 477248-43-4) is a chemical compound with molecular formula C15H15N3O4 and molecular weight 301.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-(4-methylphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Also Known As: A4108/0175165, methyl 7-(4-methylphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate, methyl 6,8-dioxo-7-(p-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate, methyl 8-(4-methylphenyl)-7,9-dioxo-3,4,8-triazaspiro[4.4]non-2-ene-2-carboxylate
| Molecular Formula | C15H15N3O4 |
|---|---|
| Molecular Weight | 301.11 g/mol |
| LogP | 0.51942 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.10626 |
| Heavy Atoms | 22 |
| Complexity | 695.244 |
Chemical Identifiers
| CAS Number | 477248-43-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)CC3(C2=O)CC(=NN3)C(=O)OC |
Product Overview
A4108/0175165 (CAS 477248-43-4), with molecular formula C15H15N3O4 and molecular weight 301.11 g/mol. IUPAC: methyl 7-(4-methylphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate.
Chemical Property Profile of A4108/0175165
Property Insights of A4108/0175165
The XLogP value of 0.51942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4108/0175165. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for A4108/0175165. Following Lipinski's Rule of Five, A4108/0175165 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 A4108/0175165?
The CAS number of A4108/0175165 is 477248-43-4.
What is the molecular formula of A4108/0175165?
The molecular formula of A4108/0175165 is C15H15N3O4.
What is the molecular weight of A4108/0175165?
The molecular weight of A4108/0175165 is 301.11 g/mol.
Where can I buy A4108/0175165?
You can request a quote for A4108/0175165 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4108/0175165?
Yes, KEHONG BIO provides custom synthesis services for A4108/0175165 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.