AP-970/42837842
TL;DR: AP-970/42837842 (CAS 863198-82-7) is a chemical compound with molecular formula C21H21N5O4S and molecular weight 439.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trimethoxy-N-[2-methyl-4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
Also Known As: AP-970/42837842, 3,4,5-trimethoxy-N-[2-methyl-4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide, 3,4,5-trimethoxy-N-[2-methyl-4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide, 3,4,5-trimethoxy-N-(2-methyl-4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl)benzamide
| Molecular Formula | C21H21N5O4S |
|---|---|
| Molecular Weight | 439.13 g/mol |
| LogP | 3.74774 |
| Topological Polar Surface Area | 99.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.13144 |
| Heavy Atoms | 31 |
| Complexity | 1255.2501 |
Chemical Identifiers
| CAS Number | 863198-82-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=NN3C(=NN=C3S2)C)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC |
Product Overview
AP-970/42837842 (CAS 863198-82-7), with molecular formula C21H21N5O4S and molecular weight 439.13 g/mol. IUPAC: 3,4,5-trimethoxy-N-[2-methyl-4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide.
Chemical Property Profile of AP-970/42837842
Property Insights of AP-970/42837842
The XLogP value of 3.74774 indicates that AP-970/42837842 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.87 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-970/42837842. Following Lipinski's Rule of Five, AP-970/42837842 has 1 hydrogen bond donor(s) and 8 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 AP-970/42837842?
The CAS number of AP-970/42837842 is 863198-82-7.
What is the molecular formula of AP-970/42837842?
The molecular formula of AP-970/42837842 is C21H21N5O4S.
What is the molecular weight of AP-970/42837842?
The molecular weight of AP-970/42837842 is 439.13 g/mol.
Where can I buy AP-970/42837842?
You can request a quote for AP-970/42837842 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-970/42837842?
Yes, KEHONG BIO provides custom synthesis services for AP-970/42837842 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.