![1-Thia-4-azaspiro[4.4]nonane-3-carboxylic acid structure](/static/products/804/804425-95-4.png)
1-Thia-4-azaspiro[4.4]nonane-3-carboxylic acid
TL;DR: 1-Thia-4-azaspiro[4.4]nonane-3-carboxylic acid (CAS 804425-95-4) is a chemical compound with molecular formula C8H13NO2S and molecular weight 187.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-thia-4-azaspiro[4.4]nonane-3-carboxylic acid
Also Known As: 1-thia-4-azaspiro[4.4]nonane-3-carboxylic acid, 1-thia-4-azaspiro[4.4]nonane-3-carboxylic acid hydrochloride, 9-thia-6-azaspiro[4.4]nonane-7-carboxylic acid
| Molecular Formula | C8H13NO2S |
|---|---|
| Molecular Weight | 187.07 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.0667 |
| Heavy Atoms | 12 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 804425-95-4 |
|---|---|
| SMILES | C1CCC2(C1)NC(CS2)C(=O)O |
| InChIKey | LNFDZRROXCWEQT-UHFFFAOYSA-N |
Product Overview
1-Thia-4-azaspiro[4.4]nonane-3-carboxylic acid (CAS 804425-95-4), with molecular formula C8H13NO2S and molecular weight 187.07 g/mol. IUPAC: 1-thia-4-azaspiro[4.4]nonane-3-carboxylic acid.
Chemical Property Profile of 1-Thia-4-azaspiro[4.4]nonane-3-carboxylic acid
Property Insights of 1-Thia-4-azaspiro[4.4]nonane-3-carboxylic acid
The XLogP value of -1.2 indicates that 1-Thia-4-azaspiro[4.4]nonane-3-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Thia-4-azaspiro[4.4]nonane-3-carboxylic acid. Following Lipinski's Rule of Five, 1-Thia-4-azaspiro[4.4]nonane-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 1-Thia-4-azaspiro[4.4]nonane-3-carboxylic acid?
The CAS number of 1-Thia-4-azaspiro[4.4]nonane-3-carboxylic acid is 804425-95-4.
What is the molecular formula of 1-Thia-4-azaspiro[4.4]nonane-3-carboxylic acid?
The molecular formula of 1-Thia-4-azaspiro[4.4]nonane-3-carboxylic acid is C8H13NO2S.
What is the molecular weight of 1-Thia-4-azaspiro[4.4]nonane-3-carboxylic acid?
The molecular weight of 1-Thia-4-azaspiro[4.4]nonane-3-carboxylic acid is 187.07 g/mol.
Where can I buy 1-Thia-4-azaspiro[4.4]nonane-3-carboxylic acid?
You can request a quote for 1-Thia-4-azaspiro[4.4]nonane-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 1-Thia-4-azaspiro[4.4]nonane-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Thia-4-azaspiro[4.4]nonane-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.