AB00100211-01
TL;DR: AB00100211-01 (CAS 313684-56-9) is a chemical compound with molecular formula C13H11NO3S2 and molecular weight 293.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[(3-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: AB00100211-01, 2-[(5E)-5-[(3-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid, (E)-2-(5-(3-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, [(5E)-5-(3-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid, 2-[5-[(3-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic Acid
| Molecular Formula | C13H11NO3S2 |
|---|---|
| Molecular Weight | 293.02 g/mol |
| LogP | 2.28082 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.01804 |
| Heavy Atoms | 19 |
| Complexity | 595.306 |
Chemical Identifiers
| CAS Number | 313684-56-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O |
Product Overview
AB00100211-01 (CAS 313684-56-9), with molecular formula C13H11NO3S2 and molecular weight 293.02 g/mol. IUPAC: 2-[(5E)-5-[(3-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of AB00100211-01
Property Insights of AB00100211-01
The XLogP value of 2.28082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00100211-01. With a topological polar surface area (TPSA) of 57.61 Ų, AB00100211-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00100211-01 has 1 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 AB00100211-01?
The CAS number of AB00100211-01 is 313684-56-9.
What is the molecular formula of AB00100211-01?
The molecular formula of AB00100211-01 is C13H11NO3S2.
What is the molecular weight of AB00100211-01?
The molecular weight of AB00100211-01 is 293.02 g/mol.
Where can I buy AB00100211-01?
You can request a quote for AB00100211-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00100211-01?
Yes, KEHONG BIO provides custom synthesis services for AB00100211-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.