AB00116049-01
TL;DR: AB00116049-01 (CAS 431913-63-2) is a chemical compound with molecular formula C17H15N3O3S2 and molecular weight 373.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: AB00116049-01, [(5E)-5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid, (E)-2-(5-((2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, 2-[(5E)-5-[(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid, 2-[(5E)-5-{[2,5-DIMETHYL-1-(PYRIDIN-4-YL)-1H-PYRROL-3-YL]METHYLIDENE}-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]ACETIC ACID
| Molecular Formula | C17H15N3O3S2 |
|---|---|
| Molecular Weight | 373.06 g/mol |
| LogP | 2.77494 |
| Topological Polar Surface Area | 75.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.05548 |
| Heavy Atoms | 25 |
| Complexity | 903.36194 |
Chemical Identifiers
| CAS Number | 431913-63-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=NC=C2)C)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O |
Product Overview
AB00116049-01 (CAS 431913-63-2), with molecular formula C17H15N3O3S2 and molecular weight 373.06 g/mol. IUPAC: 2-[(5E)-5-[(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of AB00116049-01
Property Insights of AB00116049-01
The XLogP value of 2.77494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00116049-01. The TPSA of 75.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116049-01. Following Lipinski's Rule of Five, AB00116049-01 has 1 hydrogen bond donor(s) and 5 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 AB00116049-01?
The CAS number of AB00116049-01 is 431913-63-2.
What is the molecular formula of AB00116049-01?
The molecular formula of AB00116049-01 is C17H15N3O3S2.
What is the molecular weight of AB00116049-01?
The molecular weight of AB00116049-01 is 373.06 g/mol.
Where can I buy AB00116049-01?
You can request a quote for AB00116049-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116049-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116049-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.