AB00684286-01
TL;DR: AB00684286-01 (CAS 392299-88-6) is a chemical compound with molecular formula C21H15N5O3S3 and molecular weight 481.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzoyl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: AB00684286-01, F0417-1457, 4-benzoyl-N-(5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide, 4-benzoyl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide, 4-benzoyl-N-[5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
| Molecular Formula | C21H15N5O3S3 |
|---|---|
| Molecular Weight | 481.03 g/mol |
| LogP | 4.2087 |
| Topological Polar Surface Area | 113.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 481.0337 |
| Heavy Atoms | 32 |
| Complexity | 1225.3307 |
Chemical Identifiers
| CAS Number | 392299-88-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)SCC(=O)NC4=NC=CS4 |
Product Overview
AB00684286-01 (CAS 392299-88-6), with molecular formula C21H15N5O3S3 and molecular weight 481.03 g/mol. IUPAC: 4-benzoyl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of AB00684286-01
Property Insights of AB00684286-01
The XLogP value of 4.2087 indicates that AB00684286-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684286-01. Following Lipinski's Rule of Five, AB00684286-01 has 2 hydrogen bond donor(s) and 9 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 AB00684286-01?
The CAS number of AB00684286-01 is 392299-88-6.
What is the molecular formula of AB00684286-01?
The molecular formula of AB00684286-01 is C21H15N5O3S3.
What is the molecular weight of AB00684286-01?
The molecular weight of AB00684286-01 is 481.03 g/mol.
Where can I buy AB00684286-01?
You can request a quote for AB00684286-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684286-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684286-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.