3-巯基-2-氧代-1-吡咯烷基乙酸
TL;DR: 3-巯基-2-氧代-1-吡咯烷基乙酸 (CAS 104473-02-1) is a chemical compound with molecular formula C6H9NO3S and molecular weight 175.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-巯基-2-氧代-1-吡咯烷基乙酸
2-(2-oxo-3-sulfanylpyrrolidin-1-yl)acetic acid
Also Known As: 3-Mopaa, 2-(2-oxo-3-sulfanylpyrrolidin-1-yl)acetic acid, 3-Mercapto-2-oxo-1-pyrrolidineacetic acid, 3-Mercapto-2-oxo-1-pyrrolidinyl acetic acid, 1-Pyrrolidineaceticacid, 3-mercapto-2-oxo-
| Molecular Formula | C6H9NO3S |
|---|---|
| Molecular Weight | 175.03 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.03032 |
| Heavy Atoms | 11 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 104473-02-1 |
|---|---|
| SMILES | C1CN(C(=O)C1S)CC(=O)O |
| InChIKey | CASZUKRVMSWQHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-巯基-2-氧代-1-吡咯烷基乙酸 (CAS 104473-02-1), with molecular formula C6H9NO3S and molecular weight 175.03 g/mol. IUPAC: 2-(2-oxo-3-sulfanylpyrrolidin-1-yl)acetic acid.
Chemical Property Profile of 3-巯基-2-氧代-1-吡咯烷基乙酸
Property Insights of 3-巯基-2-氧代-1-吡咯烷基乙酸
The XLogP value of -0.2 indicates that 3-巯基-2-氧代-1-吡咯烷基乙酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.6 Ų, 3-巯基-2-氧代-1-吡咯烷基乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-巯基-2-氧代-1-吡咯烷基乙酸 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 3-巯基-2-氧代-1-吡咯烷基乙酸?
The CAS number of 3-巯基-2-氧代-1-吡咯烷基乙酸 is 104473-02-1.
What is the molecular formula of 3-巯基-2-氧代-1-吡咯烷基乙酸?
The molecular formula of 3-巯基-2-氧代-1-吡咯烷基乙酸 is C6H9NO3S.
What is the molecular weight of 3-巯基-2-氧代-1-吡咯烷基乙酸?
The molecular weight of 3-巯基-2-氧代-1-吡咯烷基乙酸 is 175.03 g/mol.
Where can I buy 3-巯基-2-氧代-1-吡咯烷基乙酸?
You can request a quote for 3-巯基-2-氧代-1-吡咯烷基乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-巯基-2-氧代-1-吡咯烷基乙酸?
Yes, KEHONG BIO provides custom synthesis services for 3-巯基-2-氧代-1-吡咯烷基乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.