AB00433079-04
TL;DR: AB00433079-04 (CAS 847400-46-8) is a chemical compound with molecular formula C20H17N5O4S2 and molecular weight 455.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AB00433079-04, F0665-0052, N-(2H-1,3-benzodioxol-5-yl)-2-({4-methyl-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-(1,3-benzodioxol-5-yl)-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(benzo[d][1,3]dioxol-5-yl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C20H17N5O4S2 |
|---|---|
| Molecular Weight | 455.07 g/mol |
| LogP | 2.6993 |
| Topological Polar Surface Area | 100.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.0722 |
| Heavy Atoms | 31 |
| Complexity | 1343.0924 |
Chemical Identifiers
| CAS Number | 847400-46-8 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)CN4C5=CC=CC=C5SC4=O |
Product Overview
AB00433079-04 (CAS 847400-46-8), with molecular formula C20H17N5O4S2 and molecular weight 455.07 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00433079-04
Property Insights of AB00433079-04
The XLogP value of 2.6993 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00433079-04. The TPSA of 100.27 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00433079-04. Following Lipinski's Rule of Five, AB00433079-04 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 AB00433079-04?
The CAS number of AB00433079-04 is 847400-46-8.
What is the molecular formula of AB00433079-04?
The molecular formula of AB00433079-04 is C20H17N5O4S2.
What is the molecular weight of AB00433079-04?
The molecular weight of AB00433079-04 is 455.07 g/mol.
Where can I buy AB00433079-04?
You can request a quote for AB00433079-04 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00433079-04?
Yes, KEHONG BIO provides custom synthesis services for AB00433079-04 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.