N,S-isopropylidene-D-penicillamine
TL;DR: N,S-isopropylidene-D-penicillamine (CAS 72744-87-7) is a chemical compound with molecular formula C8H15NO2S and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid
Also Known As: N,S-isopropylidene-D-penicillamine, Epitope ID:141590, (4S)-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid, (S)-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid, (4S)-2,2,5,5-Tetramethylthiazolidine-4-carboxylic acid
| Molecular Formula | C8H15NO2S |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.08235 |
| Heavy Atoms | 12 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 72744-87-7 |
|---|---|
| SMILES | CC1([C@@H](NC(S1)(C)C)C(=O)O)C |
| InChIKey | ILJCRVOHKUEEIW-YFKPBYRVSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,S-isopropylidene-D-penicillamine (CAS 72744-87-7), with molecular formula C8H15NO2S and molecular weight 189.08 g/mol. IUPAC: (4S)-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid.
Chemical Property Profile of N,S-isopropylidene-D-penicillamine
Property Insights of N,S-isopropylidene-D-penicillamine
The XLogP value of -1.1 indicates that N,S-isopropylidene-D-penicillamine 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 N,S-isopropylidene-D-penicillamine. Following Lipinski's Rule of Five, N,S-isopropylidene-D-penicillamine 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 N,S-isopropylidene-D-penicillamine?
The CAS number of N,S-isopropylidene-D-penicillamine is 72744-87-7.
What is the molecular formula of N,S-isopropylidene-D-penicillamine?
The molecular formula of N,S-isopropylidene-D-penicillamine is C8H15NO2S.
What is the molecular weight of N,S-isopropylidene-D-penicillamine?
The molecular weight of N,S-isopropylidene-D-penicillamine is 189.08 g/mol.
Where can I buy N,S-isopropylidene-D-penicillamine?
You can request a quote for N,S-isopropylidene-D-penicillamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,S-isopropylidene-D-penicillamine?
Yes, KEHONG BIO provides custom synthesis services for N,S-isopropylidene-D-penicillamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.