AB00681767-01
TL;DR: AB00681767-01 (CAS 831234-20-9) is a chemical compound with molecular formula C18H15F3N2O4S2 and molecular weight 444.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-methyl-2-[[2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]thiophene-3-carboxylate
Also Known As: AB00681767-01, AB00681767-02, F3019-0036, methyl 5-methyl-2-{2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamido}thiophene-3-carboxylate, methyl 5-methyl-2-({[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetyl}amino)thiophene-3-carboxylate
| Molecular Formula | C18H15F3N2O4S2 |
|---|---|
| Molecular Weight | 444.04 g/mol |
| LogP | 4.30352 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.04254 |
| Heavy Atoms | 29 |
| Complexity | 987.97125 |
Chemical Identifiers
| CAS Number | 831234-20-9 |
|---|---|
| SMILES | CC1=CC(=C(S1)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)OC |
Product Overview
AB00681767-01 (CAS 831234-20-9), with molecular formula C18H15F3N2O4S2 and molecular weight 444.04 g/mol. IUPAC: methyl 5-methyl-2-[[2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of AB00681767-01
Property Insights of AB00681767-01
The XLogP value of 4.30352 indicates that AB00681767-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00681767-01. Following Lipinski's Rule of Five, AB00681767-01 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 AB00681767-01?
The CAS number of AB00681767-01 is 831234-20-9.
What is the molecular formula of AB00681767-01?
The molecular formula of AB00681767-01 is C18H15F3N2O4S2.
What is the molecular weight of AB00681767-01?
The molecular weight of AB00681767-01 is 444.04 g/mol.
Where can I buy AB00681767-01?
You can request a quote for AB00681767-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00681767-01?
Yes, KEHONG BIO provides custom synthesis services for AB00681767-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.