EINECS 272-960-0
TL;DR: EINECS 272-960-0 (CAS 68921-77-7) is a chemical compound with molecular formula C17H25N3O3S3 and molecular weight 415.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4Z)-4-[(1E)-1-(3-methyl-1,3-thiazolidin-2-ylidene)propan-2-ylidene]-5-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid;piperidine
Also Known As: EINECS 272-960-0, 3-Carboxymethyl-5-((3-methyl-2-thiazolidinylidene)isopropylidene)rhodanine, piperidine salt, 3-Thiazolidineacetic acid, 5-(1-methyl-2-(3-methyl-2-thiazolidinylidene)ethylidene)-4-oxo-2-thioxo-, compd. with piperidine (1:1), 2-[(4Z)-4-[(1E)-1-(3-methyl-1,3-thiazolidin-2-ylidene)propan-2-ylidene]-5-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid; piperidine, 3-Thiazolidineacetic acid, 5-[1-methyl-2-(3-methyl-2-thiazolidinylidene)ethylidene]-4-oxo-2-thioxo-, compd. with piperidine (1:1)
| Molecular Formula | C17H25N3O3S3 |
|---|---|
| Molecular Weight | 415.11 g/mol |
| LogP | 2.4852 |
| Topological Polar Surface Area | 72.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.1058 |
| Heavy Atoms | 26 |
| Complexity | 618.47797 |
Chemical Identifiers
| CAS Number | 68921-77-7 |
|---|---|
| SMILES | C/C(=C/1\C(=O)SC(=S)N1CC(=O)O)/C=C/2\N(CCS2)C.C1CCNCC1 |
Product Overview
EINECS 272-960-0 (CAS 68921-77-7), with molecular formula C17H25N3O3S3 and molecular weight 415.11 g/mol. IUPAC: 2-[(4Z)-4-[(1E)-1-(3-methyl-1,3-thiazolidin-2-ylidene)propan-2-ylidene]-5-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid;piperidine.
Chemical Property Profile of EINECS 272-960-0
Property Insights of EINECS 272-960-0
The XLogP value of 2.4852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 272-960-0. The TPSA of 72.88 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 272-960-0. Following Lipinski's Rule of Five, EINECS 272-960-0 has 2 hydrogen bond donor(s) and 7 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 EINECS 272-960-0?
The CAS number of EINECS 272-960-0 is 68921-77-7.
What is the molecular formula of EINECS 272-960-0?
The molecular formula of EINECS 272-960-0 is C17H25N3O3S3.
What is the molecular weight of EINECS 272-960-0?
The molecular weight of EINECS 272-960-0 is 415.11 g/mol.
Where can I buy EINECS 272-960-0?
You can request a quote for EINECS 272-960-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 272-960-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 272-960-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.