BAS 02559534
TL;DR: BAS 02559534 (CAS 1164530-61-3) is a chemical compound with molecular formula C25H20FN3O2S and molecular weight 445.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide
Also Known As: BAS 02559534, (2E)-2-cyano-3-{1-[2-(2-fluorophenoxy)ethyl]-1H-indol-3-yl}-N-(thiophen-2-ylmethyl)prop-2-enamide, (2E)-2-cyano-3-{1-[2-(2-fluorophenoxy)ethyl]indol-3-yl}-N-(2-thienylmethyl)pro p-2-enamide, (E)-2-cyano-3-(1-(2-(2-fluorophenoxy)ethyl)-1H-indol-3-yl)-N-(thiophen-2-ylmethyl)acrylamide, (E)-2-cyano-3-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide
| Molecular Formula | C25H20FN3O2S |
|---|---|
| Molecular Weight | 445.13 g/mol |
| LogP | 5.14428 |
| Topological Polar Surface Area | 67.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.12604 |
| Heavy Atoms | 32 |
| Complexity | 1302.4781 |
Chemical Identifiers
| CAS Number | 1164530-61-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2CCOC3=CC=CC=C3F)/C=C(\C#N)/C(=O)NCC4=CC=CS4 |
Product Overview
BAS 02559534 (CAS 1164530-61-3), with molecular formula C25H20FN3O2S and molecular weight 445.13 g/mol. IUPAC: (E)-2-cyano-3-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide.
Chemical Property Profile of BAS 02559534
Property Insights of BAS 02559534
The XLogP value of 5.14428 indicates that BAS 02559534 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02559534. Following Lipinski's Rule of Five, BAS 02559534 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02559534?
The CAS number of BAS 02559534 is 1164530-61-3.
What is the molecular formula of BAS 02559534?
The molecular formula of BAS 02559534 is C25H20FN3O2S.
What is the molecular weight of BAS 02559534?
The molecular weight of BAS 02559534 is 445.13 g/mol.
Where can I buy BAS 02559534?
You can request a quote for BAS 02559534 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02559534?
Yes, KEHONG BIO provides custom synthesis services for BAS 02559534 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.