BAS 00779317
TL;DR: BAS 00779317 (CAS 306323-23-9) is a chemical compound with molecular formula C17H16N4O2S3 and molecular weight 404.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
Also Known As: BAS 00779317, 4-[(5Z)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[(2E)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide, (Z)-4-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide, 4-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide, N-(5-methyl(1,3,4-thiadiazol-2-yl))-4-[4-oxo-5-(phenylmethylene)-2-thioxo(1,3- thiazolidin-3-yl)]butanamide
| Molecular Formula | C17H16N4O2S3 |
|---|---|
| Molecular Weight | 404.04 g/mol |
| LogP | 3.46662 |
| Topological Polar Surface Area | 75.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.04355 |
| Heavy Atoms | 26 |
| Complexity | 863.9028 |
Chemical Identifiers
| CAS Number | 306323-23-9 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CCCN2C(=O)/C(=C/C3=CC=CC=C3)/SC2=S |
Product Overview
BAS 00779317 (CAS 306323-23-9), with molecular formula C17H16N4O2S3 and molecular weight 404.04 g/mol. IUPAC: 4-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide.
Chemical Property Profile of BAS 00779317
Property Insights of BAS 00779317
The XLogP value of 3.46662 indicates that BAS 00779317 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00779317. Following Lipinski's Rule of Five, BAS 00779317 has 1 hydrogen bond donor(s) and 7 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 BAS 00779317?
The CAS number of BAS 00779317 is 306323-23-9.
What is the molecular formula of BAS 00779317?
The molecular formula of BAS 00779317 is C17H16N4O2S3.
What is the molecular weight of BAS 00779317?
The molecular weight of BAS 00779317 is 404.04 g/mol.
Where can I buy BAS 00779317?
You can request a quote for BAS 00779317 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00779317?
Yes, KEHONG BIO provides custom synthesis services for BAS 00779317 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.