![tert-Butyl 3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate structure](/static/products/2095/209530-76-7.webp)
tert-Butyl 3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate
TL;DR: tert-Butyl 3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate (CAS 209530-76-7) is a chemical compound with molecular formula C19H27N3O3 and molecular weight 345.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate
Also Known As: tert-Butyl 3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate, NCI60_030822, tert-butyl 2-methyl-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carboxylate, 8-t-Butyloxycarbonyl-3-methyl-1-phenyl-1,8-triazaspiro[4,5]-decan-4-one, tert-Butyl3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate
| Molecular Formula | C19H27N3O3 |
|---|---|
| Molecular Weight | 345.21 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.20523 |
| Heavy Atoms | 25 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 209530-76-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(CN2C3=CC=CC=C3)C |
| InChIKey | ZBTCTIDRZAHCCK-UHFFFAOYSA-N |
Product Overview
tert-Butyl 3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate (CAS 209530-76-7), with molecular formula C19H27N3O3 and molecular weight 345.21 g/mol. IUPAC: tert-butyl 3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate.
Chemical Property Profile of tert-Butyl 3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate
Property Insights of tert-Butyl 3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate. With a topological polar surface area (TPSA) of 53.1 Ų, tert-Butyl 3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate 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 tert-Butyl 3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
The CAS number of tert-Butyl 3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate is 209530-76-7.
What is the molecular formula of tert-Butyl 3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
The molecular formula of tert-Butyl 3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate is C19H27N3O3.
What is the molecular weight of tert-Butyl 3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
The molecular weight of tert-Butyl 3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate is 345.21 g/mol.
Where can I buy tert-Butyl 3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
You can request a quote for tert-Butyl 3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.