AB00118633-01
TL;DR: AB00118633-01 (CAS 113053-99-9) is a chemical compound with molecular formula C14H10N2O4S2 and molecular weight 334.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid
Also Known As: AB00118633-01, [(5Z)-5-(5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid, 2-[5-(5-methyl-2-oxo-1H-indol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic Acid, (Z)-2-(5-(5-methyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, [5-(5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C14H10N2O4S2 |
|---|---|
| Molecular Weight | 334.01 g/mol |
| LogP | 0.73651 |
| Topological Polar Surface Area | 91.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.0082 |
| Heavy Atoms | 22 |
| Complexity | 1000.8258 |
Chemical Identifiers
| CAS Number | 113053-99-9 |
|---|---|
| SMILES | CC1=CC2=C(C(=O)N=C2C=C1)C3=C(N(C(=S)S3)CC(=O)O)O |
Product Overview
AB00118633-01 (CAS 113053-99-9), with molecular formula C14H10N2O4S2 and molecular weight 334.01 g/mol. IUPAC: 2-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid.
Chemical Property Profile of AB00118633-01
Property Insights of AB00118633-01
The XLogP value of 0.73651 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00118633-01. The TPSA of 91.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00118633-01. Following Lipinski's Rule of Five, AB00118633-01 has 2 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 AB00118633-01?
The CAS number of AB00118633-01 is 113053-99-9.
What is the molecular formula of AB00118633-01?
The molecular formula of AB00118633-01 is C14H10N2O4S2.
What is the molecular weight of AB00118633-01?
The molecular weight of AB00118633-01 is 334.01 g/mol.
Where can I buy AB00118633-01?
You can request a quote for AB00118633-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00118633-01?
Yes, KEHONG BIO provides custom synthesis services for AB00118633-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.