BAS 08858014
TL;DR: BAS 08858014 (CAS 797778-52-0) is a chemical compound with molecular formula C14H12ClN3O6 and molecular weight 353.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
Also Known As: BAS 08858014, 2-[(E)-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one, (E)-2-(3-chloro-4,5-dimethoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one, 2-[(1E)-2-(3-chloro-4,5-dimethoxyphenyl)vinyl]-6-hydroxy-5-nitro-3-hydropyrimi din-4-one, 2-[(E)-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
| Molecular Formula | C14H12ClN3O6 |
|---|---|
| Molecular Weight | 353.04 g/mol |
| LogP | 2.2247 |
| Topological Polar Surface Area | 127.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.04147 |
| Heavy Atoms | 24 |
| Complexity | 877.544 |
Chemical Identifiers
| CAS Number | 797778-52-0 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O)Cl)OC |
Product Overview
BAS 08858014 (CAS 797778-52-0), with molecular formula C14H12ClN3O6 and molecular weight 353.04 g/mol. IUPAC: 2-[(E)-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one.
Chemical Property Profile of BAS 08858014
Property Insights of BAS 08858014
The XLogP value of 2.2247 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 08858014. The TPSA of 127.58 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 08858014. Following Lipinski's Rule of Five, BAS 08858014 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 08858014?
The CAS number of BAS 08858014 is 797778-52-0.
What is the molecular formula of BAS 08858014?
The molecular formula of BAS 08858014 is C14H12ClN3O6.
What is the molecular weight of BAS 08858014?
The molecular weight of BAS 08858014 is 353.04 g/mol.
Where can I buy BAS 08858014?
You can request a quote for BAS 08858014 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 08858014?
Yes, KEHONG BIO provides custom synthesis services for BAS 08858014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.