BAS 13072514
TL;DR: BAS 13072514 (CAS 875006-34-1) is a chemical compound with molecular formula C17H16N4O3 and molecular weight 324.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-2-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
Also Known As: BAS 13072514, (E)-5-(2-(2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl)vinyl)-3-methyl-4-nitroisoxazole, 5-[(E)-2-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole, 3-{2,5-dimethyl-3-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-1H-pyrrol-1-yl}pyridine
| Molecular Formula | C17H16N4O3 |
|---|---|
| Molecular Weight | 324.12 g/mol |
| LogP | 3.86416 |
| Topological Polar Surface Area | 86.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.12225 |
| Heavy Atoms | 24 |
| Complexity | 922.9663 |
Chemical Identifiers
| CAS Number | 875006-34-1 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CN=CC=C2)C)/C=C/C3=C(C(=NO3)C)[N+](=O)[O-] |
Product Overview
BAS 13072514 (CAS 875006-34-1), with molecular formula C17H16N4O3 and molecular weight 324.12 g/mol. IUPAC: 5-[(E)-2-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole.
Chemical Property Profile of BAS 13072514
Property Insights of BAS 13072514
The XLogP value of 3.86416 indicates that BAS 13072514 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.99 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13072514. Following Lipinski's Rule of Five, BAS 13072514 has 0 hydrogen bond donor(s) and 5 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 13072514?
The CAS number of BAS 13072514 is 875006-34-1.
What is the molecular formula of BAS 13072514?
The molecular formula of BAS 13072514 is C17H16N4O3.
What is the molecular weight of BAS 13072514?
The molecular weight of BAS 13072514 is 324.12 g/mol.
Where can I buy BAS 13072514?
You can request a quote for BAS 13072514 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13072514?
Yes, KEHONG BIO provides custom synthesis services for BAS 13072514 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.