Antitubercular agent-12
TL;DR: Antitubercular agent-12 (CAS 905677-04-5) is a chemical compound with molecular formula C13H7BrN4O5 and molecular weight 377.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
Also Known As: Antitubercular agent-12, N-(5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl)-5-nitrofuran-2-carboxamide, N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
| Molecular Formula | C13H7BrN4O5 |
|---|---|
| Molecular Weight | 377.96 g/mol |
| LogP | 3.2526 |
| Topological Polar Surface Area | 124.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.96 |
| Heavy Atoms | 23 |
| Complexity | 870.6346 |
Chemical Identifiers
| CAS Number | 905677-04-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NN=C(O2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])Br |
Product Overview
Antitubercular agent-12 (CAS 905677-04-5), with molecular formula C13H7BrN4O5 and molecular weight 377.96 g/mol. IUPAC: N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide.
Chemical Property Profile of Antitubercular agent-12
Property Insights of Antitubercular agent-12
The XLogP value of 3.2526 indicates that Antitubercular agent-12 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Antitubercular agent-12. Following Lipinski's Rule of Five, Antitubercular agent-12 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 Antitubercular agent-12?
The CAS number of Antitubercular agent-12 is 905677-04-5.
What is the molecular formula of Antitubercular agent-12?
The molecular formula of Antitubercular agent-12 is C13H7BrN4O5.
What is the molecular weight of Antitubercular agent-12?
The molecular weight of Antitubercular agent-12 is 377.96 g/mol.
Where can I buy Antitubercular agent-12?
You can request a quote for Antitubercular agent-12 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antitubercular agent-12?
Yes, KEHONG BIO provides custom synthesis services for Antitubercular agent-12 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.