![7-Benzyl-1-thia-4,7-diazaspiro[4.5]decane-3-carboxylic acid structure](/static/products/6680/66802-61-7.webp)
7-Benzyl-1-thia-4,7-diazaspiro[4.5]decane-3-carboxylic acid
TL;DR: 7-Benzyl-1-thia-4,7-diazaspiro[4.5]decane-3-carboxylic acid (CAS 66802-61-7) is a chemical compound with molecular formula C15H20N2O2S and molecular weight 292.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-1-thia-4,9-diazaspiro[4.5]decane-3-carboxylic acid
Also Known As: 7-benzyl-1-thia-4,7-diazaspiro[4.5]decane-3-carboxylic acid, NCI60_002746, 9-benzyl-1-thia-4,9-diazaspiro[4.5]decane-3-carboxylic acid, 9-benzyl-4-thia-1,9-diazaspiro[4.5]decane-2-carboxylic acid, (2S)-2-[[4-[[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-(4-methylphenyl)sulfonyl-amino]methyl]benzoyl]amino]pentanedioic acid
| Molecular Formula | C15H20N2O2S |
|---|---|
| Molecular Weight | 292.12 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.12454 |
| Heavy Atoms | 20 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 66802-61-7 |
|---|---|
| SMILES | C1CC2(CN(C1)CC3=CC=CC=C3)NC(CS2)C(=O)O |
| InChIKey | LPJZSUHQAKGWCC-UHFFFAOYSA-N |
Product Overview
7-Benzyl-1-thia-4,7-diazaspiro[4.5]decane-3-carboxylic acid (CAS 66802-61-7), with molecular formula C15H20N2O2S and molecular weight 292.12 g/mol. IUPAC: 9-benzyl-1-thia-4,9-diazaspiro[4.5]decane-3-carboxylic acid.
Chemical Property Profile of 7-Benzyl-1-thia-4,7-diazaspiro[4.5]decane-3-carboxylic acid
Property Insights of 7-Benzyl-1-thia-4,7-diazaspiro[4.5]decane-3-carboxylic acid
The XLogP value of -0.4 indicates that 7-Benzyl-1-thia-4,7-diazaspiro[4.5]decane-3-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Benzyl-1-thia-4,7-diazaspiro[4.5]decane-3-carboxylic acid. Following Lipinski's Rule of Five, 7-Benzyl-1-thia-4,7-diazaspiro[4.5]decane-3-carboxylic acid has 2 hydrogen bond donor(s) and 5 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-Benzyl-1-thia-4,7-diazaspiro[4.5]decane-3-carboxylic acid?
The CAS number of 7-Benzyl-1-thia-4,7-diazaspiro[4.5]decane-3-carboxylic acid is 66802-61-7.
What is the molecular formula of 7-Benzyl-1-thia-4,7-diazaspiro[4.5]decane-3-carboxylic acid?
The molecular formula of 7-Benzyl-1-thia-4,7-diazaspiro[4.5]decane-3-carboxylic acid is C15H20N2O2S.
What is the molecular weight of 7-Benzyl-1-thia-4,7-diazaspiro[4.5]decane-3-carboxylic acid?
The molecular weight of 7-Benzyl-1-thia-4,7-diazaspiro[4.5]decane-3-carboxylic acid is 292.12 g/mol.
Where can I buy 7-Benzyl-1-thia-4,7-diazaspiro[4.5]decane-3-carboxylic acid?
You can request a quote for 7-Benzyl-1-thia-4,7-diazaspiro[4.5]decane-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Benzyl-1-thia-4,7-diazaspiro[4.5]decane-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzyl-1-thia-4,7-diazaspiro[4.5]decane-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.