AB00164646-07
TL;DR: AB00164646-07 (CAS 449786-28-1) is a chemical compound with molecular formula C20H17N3O5S and molecular weight 411.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
Also Known As: AB00164646-07, F0541-0268, N-(5,5-dioxido-2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzo[d][1,3]dioxole-5-carboxamide, N-[2-(2-methylphenyl)-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl]-2H-1,3-benzodioxole-5-carboxamide, N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
| Molecular Formula | C20H17N3O5S |
|---|---|
| Molecular Weight | 411.09 g/mol |
| LogP | 2.59012 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.0889 |
| Heavy Atoms | 29 |
| Complexity | 1263.1162 |
Chemical Identifiers
| CAS Number | 449786-28-1 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC5=C(C=C4)OCO5 |
Product Overview
AB00164646-07 (CAS 449786-28-1), with molecular formula C20H17N3O5S and molecular weight 411.09 g/mol. IUPAC: N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of AB00164646-07
Property Insights of AB00164646-07
The XLogP value of 2.59012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00164646-07. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00164646-07. Following Lipinski's Rule of Five, AB00164646-07 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 AB00164646-07?
The CAS number of AB00164646-07 is 449786-28-1.
What is the molecular formula of AB00164646-07?
The molecular formula of AB00164646-07 is C20H17N3O5S.
What is the molecular weight of AB00164646-07?
The molecular weight of AB00164646-07 is 411.09 g/mol.
Where can I buy AB00164646-07?
You can request a quote for AB00164646-07 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00164646-07?
Yes, KEHONG BIO provides custom synthesis services for AB00164646-07 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.