BAS 00858205
TL;DR: BAS 00858205 (CAS 5787-37-1) is a chemical compound with molecular formula C21H19FN2O6 and molecular weight 414.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[(Z)-[1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]-2-methoxyphenoxy]acetate
Also Known As: BAS 00858205, BIM-0033387.P001, AB00096819-01, ethyl (4-{[1-(4-fluorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}-2-methoxyphenoxy)acetate, ethyl (4-{(Z)-[1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetate
| Molecular Formula | C21H19FN2O6 |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | 2.2376 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.1227 |
| Heavy Atoms | 30 |
| Complexity | 1003.0562 |
Chemical Identifiers
| CAS Number | 5787-37-1 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C=C1)/C=C\2/C(=O)NN(C2=O)C3=CC=C(C=C3)F)OC |
Product Overview
BAS 00858205 (CAS 5787-37-1), with molecular formula C21H19FN2O6 and molecular weight 414.12 g/mol. IUPAC: ethyl 2-[4-[(Z)-[1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]-2-methoxyphenoxy]acetate.
Chemical Property Profile of BAS 00858205
Property Insights of BAS 00858205
The XLogP value of 2.2376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00858205. The TPSA of 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00858205. Following Lipinski's Rule of Five, BAS 00858205 has 1 hydrogen bond donor(s) and 6 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 00858205?
The CAS number of BAS 00858205 is 5787-37-1.
What is the molecular formula of BAS 00858205?
The molecular formula of BAS 00858205 is C21H19FN2O6.
What is the molecular weight of BAS 00858205?
The molecular weight of BAS 00858205 is 414.12 g/mol.
Where can I buy BAS 00858205?
You can request a quote for BAS 00858205 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00858205?
Yes, KEHONG BIO provides custom synthesis services for BAS 00858205 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.