BAS 01370853
TL;DR: BAS 01370853 (CAS 337503-53-4) is a chemical compound with molecular formula C21H22N4O4S and molecular weight 426.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
Also Known As: BAS 01370853, 2-((5-(4-(tert-Butyl)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2-methyl-5-nitrophenyl)acetamide, 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide, 2-[5-(4-tert-Butyl-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(2-methyl-5-nitro-phenyl)-acetamide, 2-{[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-{5-nitro-2-methylphenyl}acetamide
| Molecular Formula | C21H22N4O4S |
|---|---|
| Molecular Weight | 426.14 g/mol |
| LogP | 4.98152 |
| Topological Polar Surface Area | 111.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.13617 |
| Heavy Atoms | 30 |
| Complexity | 1071.3556 |
Chemical Identifiers
| CAS Number | 337503-53-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
BAS 01370853 (CAS 337503-53-4), with molecular formula C21H22N4O4S and molecular weight 426.14 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide.
Chemical Property Profile of BAS 01370853
Property Insights of BAS 01370853
The XLogP value of 4.98152 indicates that BAS 01370853 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01370853. Following Lipinski's Rule of Five, BAS 01370853 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 01370853?
The CAS number of BAS 01370853 is 337503-53-4.
What is the molecular formula of BAS 01370853?
The molecular formula of BAS 01370853 is C21H22N4O4S.
What is the molecular weight of BAS 01370853?
The molecular weight of BAS 01370853 is 426.14 g/mol.
Where can I buy BAS 01370853?
You can request a quote for BAS 01370853 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01370853?
Yes, KEHONG BIO provides custom synthesis services for BAS 01370853 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.