BAS 08857540
TL;DR: BAS 08857540 (CAS 797778-46-2) is a chemical compound with molecular formula C17H17N3O6 and molecular weight 359.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-(3,4-dimethoxy-5-prop-2-enylphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
Also Known As: BAS 08857540, (E)-2-(3-allyl-4,5-dimethoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one, 2-{(E)-2-[3,4-dimethoxy-5-(prop-2-en-1-yl)phenyl]ethenyl}-6-hydroxy-5-nitropyrimidin-4(3H)-one, 2-{(E)-2-[3,4-dimethoxy-5-(prop-2-en-1-yl)phenyl]ethenyl}-5-nitropyrimidine-4,6-diol, 2-[(1E)-2-(3,4-dimethoxy-5-prop-2-enylphenyl)vinyl]-6-hydroxy-5-nitro-3-hydrop yrimidin-4-one
| Molecular Formula | C17H17N3O6 |
|---|---|
| Molecular Weight | 359.11 g/mol |
| LogP | 2.2998 |
| Topological Polar Surface Area | 127.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 359.11172 |
| Heavy Atoms | 26 |
| Complexity | 932.8259 |
Chemical Identifiers
| CAS Number | 797778-46-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)CC=C)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O |
Product Overview
BAS 08857540 (CAS 797778-46-2), with molecular formula C17H17N3O6 and molecular weight 359.11 g/mol. IUPAC: 2-[(E)-2-(3,4-dimethoxy-5-prop-2-enylphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one.
Chemical Property Profile of BAS 08857540
Property Insights of BAS 08857540
The XLogP value of 2.2998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 08857540. The TPSA of 127.58 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 08857540. Following Lipinski's Rule of Five, BAS 08857540 has 2 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 08857540?
The CAS number of BAS 08857540 is 797778-46-2.
What is the molecular formula of BAS 08857540?
The molecular formula of BAS 08857540 is C17H17N3O6.
What is the molecular weight of BAS 08857540?
The molecular weight of BAS 08857540 is 359.11 g/mol.
Where can I buy BAS 08857540?
You can request a quote for BAS 08857540 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 08857540?
Yes, KEHONG BIO provides custom synthesis services for BAS 08857540 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.