BAS 01248679
TL;DR: BAS 01248679 (CAS 332161-29-2) is a chemical compound with molecular formula C17H13BrN4O4S and molecular weight 447.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide
Also Known As: BAS 01248679, 2-((5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-methyl-3-nitrophenyl)acetamide, 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide, 2-[5-(4-bromophenyl)(1,3,4-oxadiazol-2-ylthio)]-N-(4-methyl-3-nitrophenyl)acet amide, 2-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-{3-nitro-4-methylphenyl}acetamide
| Molecular Formula | C17H13BrN4O4S |
|---|---|
| Molecular Weight | 447.98 g/mol |
| LogP | 4.44652 |
| Topological Polar Surface Area | 111.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.9841 |
| Heavy Atoms | 27 |
| Complexity | 990.8534 |
Chemical Identifiers
| CAS Number | 332161-29-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Br)[N+](=O)[O-] |
Product Overview
BAS 01248679 (CAS 332161-29-2), with molecular formula C17H13BrN4O4S and molecular weight 447.98 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide.
Chemical Property Profile of BAS 01248679
Property Insights of BAS 01248679
The XLogP value of 4.44652 indicates that BAS 01248679 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 01248679. Following Lipinski's Rule of Five, BAS 01248679 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 01248679?
The CAS number of BAS 01248679 is 332161-29-2.
What is the molecular formula of BAS 01248679?
The molecular formula of BAS 01248679 is C17H13BrN4O4S.
What is the molecular weight of BAS 01248679?
The molecular weight of BAS 01248679 is 447.98 g/mol.
Where can I buy BAS 01248679?
You can request a quote for BAS 01248679 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01248679?
Yes, KEHONG BIO provides custom synthesis services for BAS 01248679 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.