BAS 00754601
TL;DR: BAS 00754601 (CAS 331639-45-3) is a chemical compound with molecular formula C25H25N3O4S3 and molecular weight 527.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]acetamide
Also Known As: BAS 00754601, AH-487/37084034, 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]acetamide, N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-[4-ethoxy(phenylsulfonyl)anilino]acetamide, N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-N~2~-(4-ethoxyphenyl)-N~2~-(phenylsulfonyl)glycinamide
| Molecular Formula | C25H25N3O4S3 |
|---|---|
| Molecular Weight | 527.10 g/mol |
| LogP | 4.7988 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 527.1007 |
| Heavy Atoms | 35 |
| Complexity | 1341.1265 |
Chemical Identifiers
| CAS Number | 331639-45-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N(CC(=O)NCCSC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4 |
Product Overview
BAS 00754601 (CAS 331639-45-3), with molecular formula C25H25N3O4S3 and molecular weight 527.10 g/mol. IUPAC: 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]acetamide.
Chemical Property Profile of BAS 00754601
Property Insights of BAS 00754601
The XLogP value of 4.7988 indicates that BAS 00754601 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00754601. Following Lipinski's Rule of Five, BAS 00754601 has 1 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 00754601?
The CAS number of BAS 00754601 is 331639-45-3.
What is the molecular formula of BAS 00754601?
The molecular formula of BAS 00754601 is C25H25N3O4S3.
What is the molecular weight of BAS 00754601?
The molecular weight of BAS 00754601 is 527.10 g/mol.
Where can I buy BAS 00754601?
You can request a quote for BAS 00754601 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00754601?
Yes, KEHONG BIO provides custom synthesis services for BAS 00754601 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.