AB01316771-02
TL;DR: AB01316771-02 (CAS 689772-36-9) is a chemical compound with molecular formula C12H11ClN2O2S2 and molecular weight 314.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-amino-3-(5-chloro-2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
Also Known As: AB01316771-02, F6548-4274, methyl 4-amino-3-(5-chloro-2-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate, methyl 4-amino-3-(5-chloro-2-methylphenyl)-2-thioxo-2,3-dihydrothiazole-5-carboxylate, methyl 4-amino-3-(5-chloro-2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
| Molecular Formula | C12H11ClN2O2S2 |
|---|---|
| Molecular Weight | 314.00 g/mol |
| LogP | 3.59891 |
| Topological Polar Surface Area | 57.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.99506 |
| Heavy Atoms | 19 |
| Complexity | 706.2403 |
Chemical Identifiers
| CAS Number | 689772-36-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2C(=C(SC2=S)C(=O)OC)N |
Product Overview
AB01316771-02 (CAS 689772-36-9), with molecular formula C12H11ClN2O2S2 and molecular weight 314.00 g/mol. IUPAC: methyl 4-amino-3-(5-chloro-2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate.
Chemical Property Profile of AB01316771-02
Property Insights of AB01316771-02
The XLogP value of 3.59891 indicates that AB01316771-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.25 Ų, AB01316771-02 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB01316771-02 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 AB01316771-02?
The CAS number of AB01316771-02 is 689772-36-9.
What is the molecular formula of AB01316771-02?
The molecular formula of AB01316771-02 is C12H11ClN2O2S2.
What is the molecular weight of AB01316771-02?
The molecular weight of AB01316771-02 is 314.00 g/mol.
Where can I buy AB01316771-02?
You can request a quote for AB01316771-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01316771-02?
Yes, KEHONG BIO provides custom synthesis services for AB01316771-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.