BAS 01029680
TL;DR: BAS 01029680 (CAS 1164483-19-5) is a chemical compound with molecular formula C22H22N2O6 and molecular weight 410.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]prop-2-enoate
Also Known As: BAS 01029680, 2-Cyano-3-{3-methoxy-4-[(4-methoxy-phenylcarbamoyl)-methoxy]-phenyl}-acrylic acid ethyl ester, ethyl (E)-2-cyano-3-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]prop-2-enoate, Ethyl 2-cyano-3-(3-methoxy-4-(2-((4-methoxyphenyl)amino)-2-oxoethoxy)phenyl)acrylate, Ethyl2-cyano-3-(3-methoxy-4-(2-((4-methoxyphenyl)amino)-2-oxoethoxy)phenyl)acrylate
| Molecular Formula | C22H22N2O6 |
|---|---|
| Molecular Weight | 410.15 g/mol |
| LogP | 3.19138 |
| Topological Polar Surface Area | 106.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 410.1478 |
| Heavy Atoms | 30 |
| Complexity | 960.5833 |
Chemical Identifiers
| CAS Number | 1164483-19-5 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)OC)OC)/C#N |
Product Overview
BAS 01029680 (CAS 1164483-19-5), with molecular formula C22H22N2O6 and molecular weight 410.15 g/mol. IUPAC: ethyl (E)-2-cyano-3-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]prop-2-enoate.
Chemical Property Profile of BAS 01029680
Property Insights of BAS 01029680
The XLogP value of 3.19138 indicates that BAS 01029680 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.88 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01029680. Following Lipinski's Rule of Five, BAS 01029680 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 01029680?
The CAS number of BAS 01029680 is 1164483-19-5.
What is the molecular formula of BAS 01029680?
The molecular formula of BAS 01029680 is C22H22N2O6.
What is the molecular weight of BAS 01029680?
The molecular weight of BAS 01029680 is 410.15 g/mol.
Where can I buy BAS 01029680?
You can request a quote for BAS 01029680 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01029680?
Yes, KEHONG BIO provides custom synthesis services for BAS 01029680 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.