AB00685494-01
TL;DR: AB00685494-01 (CAS 682783-97-7) is a chemical compound with molecular formula C17H18N4O3S3 and molecular weight 422.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide
Also Known As: AB00685494-01, F1063-1909, (E)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanamide, N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[(5E)-5-[(furan-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide, N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide
| Molecular Formula | C17H18N4O3S3 |
|---|---|
| Molecular Weight | 422.05 g/mol |
| LogP | 3.7037 |
| Topological Polar Surface Area | 88.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 422.0541 |
| Heavy Atoms | 27 |
| Complexity | 860.66534 |
Chemical Identifiers
| CAS Number | 682783-97-7 |
|---|---|
| SMILES | CCCCC1=NN=C(S1)NC(=O)CCN2C(=O)/C(=C\C3=CC=CO3)/SC2=S |
Product Overview
AB00685494-01 (CAS 682783-97-7), with molecular formula C17H18N4O3S3 and molecular weight 422.05 g/mol. IUPAC: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide.
Chemical Property Profile of AB00685494-01
Property Insights of AB00685494-01
The XLogP value of 3.7037 indicates that AB00685494-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.33 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685494-01. Following Lipinski's Rule of Five, AB00685494-01 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 AB00685494-01?
The CAS number of AB00685494-01 is 682783-97-7.
What is the molecular formula of AB00685494-01?
The molecular formula of AB00685494-01 is C17H18N4O3S3.
What is the molecular weight of AB00685494-01?
The molecular weight of AB00685494-01 is 422.05 g/mol.
Where can I buy AB00685494-01?
You can request a quote for AB00685494-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685494-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685494-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.