BAS 00728587
TL;DR: BAS 00728587 (CAS 331981-85-2) is a chemical compound with molecular formula C20H18Cl2N4O2S3 and molecular weight 512.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
Also Known As: BAS 00728587, BIM-0009024.P001, 2-[(5-{[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide, A1754/0074474, 2-[[5-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
| Molecular Formula | C20H18Cl2N4O2S3 |
|---|---|
| Molecular Weight | 512.00 g/mol |
| LogP | 5.92334 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 511.9969 |
| Heavy Atoms | 31 |
| Complexity | 1023.77905 |
Chemical Identifiers
| CAS Number | 331981-85-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(S2)SCC(=O)NC3=C(C=CC(=C3)Cl)C |
Product Overview
BAS 00728587 (CAS 331981-85-2), with molecular formula C20H18Cl2N4O2S3 and molecular weight 512.00 g/mol. IUPAC: 2-[[5-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide.
Chemical Property Profile of BAS 00728587
Property Insights of BAS 00728587
The XLogP value of 5.92334 indicates that BAS 00728587 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00728587. Following Lipinski's Rule of Five, BAS 00728587 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00728587?
The CAS number of BAS 00728587 is 331981-85-2.
What is the molecular formula of BAS 00728587?
The molecular formula of BAS 00728587 is C20H18Cl2N4O2S3.
What is the molecular weight of BAS 00728587?
The molecular weight of BAS 00728587 is 512.00 g/mol.
Where can I buy BAS 00728587?
You can request a quote for BAS 00728587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00728587?
Yes, KEHONG BIO provides custom synthesis services for BAS 00728587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.