BAS 01255852
TL;DR: BAS 01255852 (CAS 358281-50-2) is a chemical compound with molecular formula C21H22N2O6 and molecular weight 398.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetate
Also Known As: BAS 01255852, ethyl (4-{(1E)-2-cyano-3-[(furan-2-ylmethyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)acetate, ethyl 2-(4-{(1E)-2-cyano-2-[N-(2-furylmethyl)carbamoyl]vinyl}-2-ethoxyphenoxy) acetate, (E)-ethyl 2-(4-(2-cyano-3-((furan-2-ylmethyl)amino)-3-oxoprop-1-en-1-yl)-2-ethoxyphenoxy)acetate, ethyl 2-[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetate
| Molecular Formula | C21H22N2O6 |
|---|---|
| Molecular Weight | 398.15 g/mol |
| LogP | 2.84358 |
| Topological Polar Surface Area | 110.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 398.1478 |
| Heavy Atoms | 29 |
| Complexity | 896.3903 |
Chemical Identifiers
| CAS Number | 358281-50-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=CO2)OCC(=O)OCC |
Product Overview
BAS 01255852 (CAS 358281-50-2), with molecular formula C21H22N2O6 and molecular weight 398.15 g/mol. IUPAC: ethyl 2-[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetate.
Chemical Property Profile of BAS 01255852
Property Insights of BAS 01255852
The XLogP value of 2.84358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01255852. The TPSA of 110.79 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01255852. Following Lipinski's Rule of Five, BAS 01255852 has 1 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 01255852?
The CAS number of BAS 01255852 is 358281-50-2.
What is the molecular formula of BAS 01255852?
The molecular formula of BAS 01255852 is C21H22N2O6.
What is the molecular weight of BAS 01255852?
The molecular weight of BAS 01255852 is 398.15 g/mol.
Where can I buy BAS 01255852?
You can request a quote for BAS 01255852 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01255852?
Yes, KEHONG BIO provides custom synthesis services for BAS 01255852 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.