BAS 00165889
TL;DR: BAS 00165889 (CAS 339226-72-1) is a chemical compound with molecular formula C26H20N2O8 and molecular weight 488.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[4-[4-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenoxy]phenoxy]anilino]-4-oxobut-2-enoic acid
Also Known As: BAS 00165889, BIM-0026156.P001, A0569/0026234, (2E,2'E)-4,4'-[benzene-1,4-diylbis(oxybenzene-4,1-diylimino)]bis(4-oxobut-2-enoic acid), 3-(4-{4-[4-(3-Carboxy-acryloylamino)-phenoxy]-phenoxy}-phenylcarbamoyl)-acrylic
| Molecular Formula | C26H20N2O8 |
|---|---|
| Molecular Weight | 488.12 g/mol |
| LogP | 4.4298 |
| Topological Polar Surface Area | 151.26 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 488.12198 |
| Heavy Atoms | 36 |
| Complexity | 1192.7806 |
Chemical Identifiers
| CAS Number | 339226-72-1 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)/C=C/C(=O)O)OC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)/C=C/C(=O)O |
Product Overview
BAS 00165889 (CAS 339226-72-1), with molecular formula C26H20N2O8 and molecular weight 488.12 g/mol. IUPAC: (E)-4-[4-[4-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenoxy]phenoxy]anilino]-4-oxobut-2-enoic acid.
Chemical Property Profile of BAS 00165889
Property Insights of BAS 00165889
The XLogP value of 4.4298 indicates that BAS 00165889 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.26 Ų indicates high polarity, suggesting BAS 00165889 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00165889 has 4 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 00165889?
The CAS number of BAS 00165889 is 339226-72-1.
What is the molecular formula of BAS 00165889?
The molecular formula of BAS 00165889 is C26H20N2O8.
What is the molecular weight of BAS 00165889?
The molecular weight of BAS 00165889 is 488.12 g/mol.
Where can I buy BAS 00165889?
You can request a quote for BAS 00165889 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00165889?
Yes, KEHONG BIO provides custom synthesis services for BAS 00165889 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.