BAS 00829358
TL;DR: BAS 00829358 (CAS 332026-07-0) is a chemical compound with molecular formula C22H20N4O4S3 and molecular weight 500.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[2-oxo-2-(phenacylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenacylacetamide
Also Known As: BAS 00829358, 2,2'-(1,3,4-thiadiazole-2,5-diyldisulfanediyl)bis[N-(2-oxo-2-phenylethyl)acetamide], 2-[[5-[2-oxo-2-(phenacylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenacylacetamide, 2,2'-((1,3,4-thiadiazole-2,5-diyl)bis(sulfanediyl))bis(N-(2-oxo-2-phenylethyl)acetamide)
| Molecular Formula | C22H20N4O4S3 |
|---|---|
| Molecular Weight | 500.06 g/mol |
| LogP | 2.7205 |
| Topological Polar Surface Area | 118.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 500.06467 |
| Heavy Atoms | 33 |
| Complexity | 1021.0983 |
Chemical Identifiers
| CAS Number | 332026-07-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CNC(=O)CSC2=NN=C(S2)SCC(=O)NCC(=O)C3=CC=CC=C3 |
Product Overview
BAS 00829358 (CAS 332026-07-0), with molecular formula C22H20N4O4S3 and molecular weight 500.06 g/mol. IUPAC: 2-[[5-[2-oxo-2-(phenacylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenacylacetamide.
Chemical Property Profile of BAS 00829358
Property Insights of BAS 00829358
The XLogP value of 2.7205 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00829358. The TPSA of 118.12 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00829358. Following Lipinski's Rule of Five, BAS 00829358 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00829358?
The CAS number of BAS 00829358 is 332026-07-0.
What is the molecular formula of BAS 00829358?
The molecular formula of BAS 00829358 is C22H20N4O4S3.
What is the molecular weight of BAS 00829358?
The molecular weight of BAS 00829358 is 500.06 g/mol.
Where can I buy BAS 00829358?
You can request a quote for BAS 00829358 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00829358?
Yes, KEHONG BIO provides custom synthesis services for BAS 00829358 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.