AB01333826-02
TL;DR: AB01333826-02 (CAS 689772-50-7) is a chemical compound with molecular formula C13H14N2O2S3 and molecular weight 326.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-3-(3-methylsulfanylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
Also Known As: AB01333826-02, ethyl 4-amino-3-[3-(methylsulfanyl)phenyl]-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate, F0921-6835, ethyl 4-amino-3-(3-(methylthio)phenyl)-2-thioxo-2,3-dihydrothiazole-5-carboxylate, Ethyl 4-amino-3-(3-methylsulfanylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
| Molecular Formula | C13H14N2O2S3 |
|---|---|
| Molecular Weight | 326.02 g/mol |
| LogP | 3.74909 |
| Topological Polar Surface Area | 57.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.02173 |
| Heavy Atoms | 20 |
| Complexity | 691.165 |
Chemical Identifiers
| CAS Number | 689772-50-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=S)S1)C2=CC(=CC=C2)SC)N |
Product Overview
AB01333826-02 (CAS 689772-50-7), with molecular formula C13H14N2O2S3 and molecular weight 326.02 g/mol. IUPAC: ethyl 4-amino-3-(3-methylsulfanylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate.
Chemical Property Profile of AB01333826-02
Property Insights of AB01333826-02
The XLogP value of 3.74909 indicates that AB01333826-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.25 Ų, AB01333826-02 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB01333826-02 has 1 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 AB01333826-02?
The CAS number of AB01333826-02 is 689772-50-7.
What is the molecular formula of AB01333826-02?
The molecular formula of AB01333826-02 is C13H14N2O2S3.
What is the molecular weight of AB01333826-02?
The molecular weight of AB01333826-02 is 326.02 g/mol.
Where can I buy AB01333826-02?
You can request a quote for AB01333826-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01333826-02?
Yes, KEHONG BIO provides custom synthesis services for AB01333826-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.