AB00114697-01
TL;DR: AB00114697-01 (CAS 380540-98-7) is a chemical compound with molecular formula C21H16N2O4S2 and molecular weight 424.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: AB00114697-01, {(5Z)-5-[1-(4-methylbenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid, 2-[(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid, (Z)-2-(5-(1-(4-methylbenzyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, 2-(5-{1-[(4-methylphenyl)methyl]-2-oxobenzo[d]azolidin-3-ylidene}-4-oxo-2-thio xo-1,3-thiazolidin-3-yl)acetic acid
| Molecular Formula | C21H16N2O4S2 |
|---|---|
| Molecular Weight | 424.06 g/mol |
| LogP | 3.19782 |
| Topological Polar Surface Area | 77.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.05515 |
| Heavy Atoms | 29 |
| Complexity | 1092.1149 |
Chemical Identifiers
| CAS Number | 380540-98-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CC(=O)O)/C2=O |
Product Overview
AB00114697-01 (CAS 380540-98-7), with molecular formula C21H16N2O4S2 and molecular weight 424.06 g/mol. IUPAC: 2-[(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of AB00114697-01
Property Insights of AB00114697-01
The XLogP value of 3.19782 indicates that AB00114697-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00114697-01. Following Lipinski's Rule of Five, AB00114697-01 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 AB00114697-01?
The CAS number of AB00114697-01 is 380540-98-7.
What is the molecular formula of AB00114697-01?
The molecular formula of AB00114697-01 is C21H16N2O4S2.
What is the molecular weight of AB00114697-01?
The molecular weight of AB00114697-01 is 424.06 g/mol.
Where can I buy AB00114697-01?
You can request a quote for AB00114697-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114697-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114697-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.