BAS 12632285
TL;DR: BAS 12632285 (CAS 872546-01-5) is a chemical compound with molecular formula C20H20N4O4 and molecular weight 380.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
Also Known As: BAS 12632285, 2-{(E)-2-[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethenyl}-6-hydroxy-5-nitropyrimidin-4(3H)-one, (E)-2-(2-(1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one, 2-[(E)-2-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
| Molecular Formula | C20H20N4O4 |
|---|---|
| Molecular Weight | 380.15 g/mol |
| LogP | 3.52404 |
| Topological Polar Surface Area | 114.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.14847 |
| Heavy Atoms | 28 |
| Complexity | 1124.3429 |
Chemical Identifiers
| CAS Number | 872546-01-5 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O)C |
Product Overview
BAS 12632285 (CAS 872546-01-5), with molecular formula C20H20N4O4 and molecular weight 380.15 g/mol. IUPAC: 2-[(E)-2-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one.
Chemical Property Profile of BAS 12632285
Property Insights of BAS 12632285
The XLogP value of 3.52404 indicates that BAS 12632285 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12632285. Following Lipinski's Rule of Five, BAS 12632285 has 2 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 12632285?
The CAS number of BAS 12632285 is 872546-01-5.
What is the molecular formula of BAS 12632285?
The molecular formula of BAS 12632285 is C20H20N4O4.
What is the molecular weight of BAS 12632285?
The molecular weight of BAS 12632285 is 380.15 g/mol.
Where can I buy BAS 12632285?
You can request a quote for BAS 12632285 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12632285?
Yes, KEHONG BIO provides custom synthesis services for BAS 12632285 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.