2-((2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl)thio)acetic acid
TL;DR: 2-((2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl)thio)acetic acid (CAS 610758-87-7) is a chemical compound with molecular formula C11H19NO3S and molecular weight 245.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylacetic acid
Also Known As: 2-((2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl)thio)acetic acid, VU0616594-1, 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylacetic acid, 2-[2-(3,5-dimethylpiperidyl)-2-oxoethylthio]acetic acid, {[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio}acetic acid
| Molecular Formula | C11H19NO3S |
|---|---|
| Molecular Weight | 245.11 g/mol |
| LogP | 1.3087 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.10857 |
| Heavy Atoms | 16 |
| Complexity | 259.9553 |
Chemical Identifiers
| CAS Number | 610758-87-7 |
|---|---|
| SMILES | CC1CC(CN(C1)C(=O)CSCC(=O)O)C |
Product Overview
2-((2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl)thio)acetic acid (CAS 610758-87-7), with molecular formula C11H19NO3S and molecular weight 245.11 g/mol. IUPAC: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylacetic acid.
Chemical Property Profile of 2-((2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl)thio)acetic acid
Property Insights of 2-((2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl)thio)acetic acid
The XLogP value of 1.3087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl)thio)acetic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 2-((2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl)thio)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl)thio)acetic acid has 1 hydrogen bond donor(s) and 3 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 2-((2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl)thio)acetic acid?
The CAS number of 2-((2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl)thio)acetic acid is 610758-87-7.
What is the molecular formula of 2-((2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl)thio)acetic acid?
The molecular formula of 2-((2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl)thio)acetic acid is C11H19NO3S.
What is the molecular weight of 2-((2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl)thio)acetic acid?
The molecular weight of 2-((2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl)thio)acetic acid is 245.11 g/mol.
Where can I buy 2-((2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl)thio)acetic acid?
You can request a quote for 2-((2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.