BAS 08865083
TL;DR: BAS 08865083 (CAS 797779-16-9) is a chemical compound with molecular formula C20H16ClN3O6 and molecular weight 429.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(Z)-2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
Also Known As: BAS 08865083, 2-[(Z)-2-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one, 2-[(Z)-2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one, 2-[(1Z)-2-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}ethenyl]-6-hydroxy-5-nitro-3,4-dihydropyrimidin-4-one, 2-((1Z)-2-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}vinyl)-6-hydroxy-5-nitr o-3-hydropyrimidin-4-one
| Molecular Formula | C20H16ClN3O6 |
|---|---|
| Molecular Weight | 429.07 g/mol |
| LogP | 3.7951 |
| Topological Polar Surface Area | 127.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.07275 |
| Heavy Atoms | 30 |
| Complexity | 1175.4437 |
Chemical Identifiers
| CAS Number | 797779-16-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C\C2=NC(=C(C(=O)N2)[N+](=O)[O-])O)OCC3=CC=CC=C3Cl |
Product Overview
BAS 08865083 (CAS 797779-16-9), with molecular formula C20H16ClN3O6 and molecular weight 429.07 g/mol. IUPAC: 2-[(Z)-2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one.
Chemical Property Profile of BAS 08865083
Property Insights of BAS 08865083
The XLogP value of 3.7951 indicates that BAS 08865083 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.58 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 08865083. Following Lipinski's Rule of Five, BAS 08865083 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 08865083?
The CAS number of BAS 08865083 is 797779-16-9.
What is the molecular formula of BAS 08865083?
The molecular formula of BAS 08865083 is C20H16ClN3O6.
What is the molecular weight of BAS 08865083?
The molecular weight of BAS 08865083 is 429.07 g/mol.
Where can I buy BAS 08865083?
You can request a quote for BAS 08865083 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 08865083?
Yes, KEHONG BIO provides custom synthesis services for BAS 08865083 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.