AB00100145-01
TL;DR: AB00100145-01 (CAS 326019-45-8) is a chemical compound with molecular formula C13H10BrNO5S2 and molecular weight 402.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: AB00100145-01, [(5E)-5-(5-bromo-2-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid, (E)-2-(5-(5-bromo-2-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, 2-[(5E)-5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid, 2-{5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylene]-4-oxo-2-thioxo-1,3-thiazol idin-3-yl}acetic acid
| Molecular Formula | C13H10BrNO5S2 |
|---|---|
| Molecular Weight | 402.92 g/mol |
| LogP | 2.4491 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.91837 |
| Heavy Atoms | 22 |
| Complexity | 703.916 |
Chemical Identifiers
| CAS Number | 326019-45-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O)Br |
Product Overview
AB00100145-01 (CAS 326019-45-8), with molecular formula C13H10BrNO5S2 and molecular weight 402.92 g/mol. IUPAC: 2-[(5E)-5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of AB00100145-01
Property Insights of AB00100145-01
The XLogP value of 2.4491 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00100145-01. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00100145-01. Following Lipinski's Rule of Five, AB00100145-01 has 2 hydrogen bond donor(s) and 6 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 AB00100145-01?
The CAS number of AB00100145-01 is 326019-45-8.
What is the molecular formula of AB00100145-01?
The molecular formula of AB00100145-01 is C13H10BrNO5S2.
What is the molecular weight of AB00100145-01?
The molecular weight of AB00100145-01 is 402.92 g/mol.
Where can I buy AB00100145-01?
You can request a quote for AB00100145-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00100145-01?
Yes, KEHONG BIO provides custom synthesis services for AB00100145-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.