AB00684397-01
TL;DR: AB00684397-01 (CAS 477214-76-9) is a chemical compound with molecular formula C18H19N5O4S3 and molecular weight 465.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-diethoxy-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: AB00684397-01, 3,4-diethoxy-N-(5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide, F0529-1074, 3,4-diethoxy-N-[5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide, 3,4-diethoxy-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
| Molecular Formula | C18H19N5O4S3 |
|---|---|
| Molecular Weight | 465.06 g/mol |
| LogP | 3.7751 |
| Topological Polar Surface Area | 115.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 465.0599 |
| Heavy Atoms | 30 |
| Complexity | 993.6356 |
Chemical Identifiers
| CAS Number | 477214-76-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=NC=CS3)OCC |
Product Overview
AB00684397-01 (CAS 477214-76-9), with molecular formula C18H19N5O4S3 and molecular weight 465.06 g/mol. IUPAC: 3,4-diethoxy-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of AB00684397-01
Property Insights of AB00684397-01
The XLogP value of 3.7751 indicates that AB00684397-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.33 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684397-01. Following Lipinski's Rule of Five, AB00684397-01 has 2 hydrogen bond donor(s) and 10 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 AB00684397-01?
The CAS number of AB00684397-01 is 477214-76-9.
What is the molecular formula of AB00684397-01?
The molecular formula of AB00684397-01 is C18H19N5O4S3.
What is the molecular weight of AB00684397-01?
The molecular weight of AB00684397-01 is 465.06 g/mol.
Where can I buy AB00684397-01?
You can request a quote for AB00684397-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684397-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684397-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.