AB00875118-06
TL;DR: AB00875118-06 (CAS 681267-81-2) is a chemical compound with molecular formula C21H19N3O5S and molecular weight 425.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
Also Known As: AB00875118-06, F0541-1052, N-[2-(3,4-dimethylphenyl)-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl]-2H-1,3-benzodioxole-5-carboxamide, N-(2-(3,4-dimethylphenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzo[d][1,3]dioxole-5-carboxamide, N-[2-(3,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
| Molecular Formula | C21H19N3O5S |
|---|---|
| Molecular Weight | 425.10 g/mol |
| LogP | 2.89854 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.10455 |
| Heavy Atoms | 30 |
| Complexity | 1310.4163 |
Chemical Identifiers
| CAS Number | 681267-81-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC5=C(C=C4)OCO5)C |
Product Overview
AB00875118-06 (CAS 681267-81-2), with molecular formula C21H19N3O5S and molecular weight 425.10 g/mol. IUPAC: N-[2-(3,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of AB00875118-06
Property Insights of AB00875118-06
The XLogP value of 2.89854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00875118-06. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00875118-06. Following Lipinski's Rule of Five, AB00875118-06 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 AB00875118-06?
The CAS number of AB00875118-06 is 681267-81-2.
What is the molecular formula of AB00875118-06?
The molecular formula of AB00875118-06 is C21H19N3O5S.
What is the molecular weight of AB00875118-06?
The molecular weight of AB00875118-06 is 425.10 g/mol.
Where can I buy AB00875118-06?
You can request a quote for AB00875118-06 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00875118-06?
Yes, KEHONG BIO provides custom synthesis services for AB00875118-06 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.