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8-Benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid
TL;DR: 8-Benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid (CAS 55944-38-2) 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.
8-benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid
Also Known As: 8-benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid, 8-benzyl-1-thia-4,8-diazaspiro[, 8-benzyl-1-thia-4,8-diaza-spiro[, BAS 00417154, benzylthiadiazaspirodecanecarboxylicacid
| Molecular Formula | C15H20N2O2S |
|---|---|
| Molecular Weight | 292.12 g/mol |
| LogP | 1.7683 |
| Topological Polar Surface Area | 52.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.12454 |
| Heavy Atoms | 20 |
| Complexity | 472.02167 |
Chemical Identifiers
| CAS Number | 55944-38-2 |
|---|---|
| SMILES | C1CN(CCC12NC(CS2)C(=O)O)CC3=CC=CC=C3 |
Product Overview
8-Benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid (CAS 55944-38-2), with molecular formula C15H20N2O2S and molecular weight 292.12 g/mol. IUPAC: 8-benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid.
Chemical Property Profile of 8-Benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid
Property Insights of 8-Benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid
The XLogP value of 1.7683 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid. With a topological polar surface area (TPSA) of 52.57 Ų, 8-Benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid has 2 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 8-Benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
The CAS number of 8-Benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid is 55944-38-2.
What is the molecular formula of 8-Benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
The molecular formula of 8-Benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid is C15H20N2O2S.
What is the molecular weight of 8-Benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
The molecular weight of 8-Benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid is 292.12 g/mol.
Where can I buy 8-Benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
You can request a quote for 8-Benzyl-1-thia-4,8-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 8-Benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 8-Benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.