BAS 12632006
TL;DR: BAS 12632006 (CAS 863436-53-7) is a chemical compound with molecular formula C19H18N4O4 and molecular weight 366.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
Also Known As: BAS 12632006, (E)-2-(2-(2,5-dimethyl-1-(m-tolyl)-1H-pyrrol-3-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one, 2-[(E)-2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one, 2-{(1E)-2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]vinyl}-6-hydroxy-5-nitro -3-hydropyrimidin-4-one, 2-{(E)-2-[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]ethenyl}-6-hydroxy-5-nitropyrimidin-4(3H)-one
| Molecular Formula | C19H18N4O4 |
|---|---|
| Molecular Weight | 366.13 g/mol |
| LogP | 3.27006 |
| Topological Polar Surface Area | 114.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.1328 |
| Heavy Atoms | 27 |
| Complexity | 1125.2238 |
Chemical Identifiers
| CAS Number | 863436-53-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=CC(=C2C)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O)C |
Product Overview
BAS 12632006 (CAS 863436-53-7), with molecular formula C19H18N4O4 and molecular weight 366.13 g/mol. IUPAC: 2-[(E)-2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one.
Chemical Property Profile of BAS 12632006
Property Insights of BAS 12632006
The XLogP value of 3.27006 indicates that BAS 12632006 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 12632006. Following Lipinski's Rule of Five, BAS 12632006 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 12632006?
The CAS number of BAS 12632006 is 863436-53-7.
What is the molecular formula of BAS 12632006?
The molecular formula of BAS 12632006 is C19H18N4O4.
What is the molecular weight of BAS 12632006?
The molecular weight of BAS 12632006 is 366.13 g/mol.
Where can I buy BAS 12632006?
You can request a quote for BAS 12632006 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12632006?
Yes, KEHONG BIO provides custom synthesis services for BAS 12632006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.