BAS 02577474
TL;DR: BAS 02577474 (CAS 335207-15-3) is a chemical compound with molecular formula C23H21N3O4 and molecular weight 403.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[(E)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-enyl]phenoxy]acetate
Also Known As: BAS 02577474, methyl {4-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]phenoxy}acetate, methyl 2-[4-[(E)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-enyl]phenoxy]acetate, methyl 2-[4-(2-cyano-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}eth-1-en-1-yl)phenoxy]acetate
| Molecular Formula | C23H21N3O4 |
|---|---|
| Molecular Weight | 403.15 g/mol |
| LogP | 2.98558 |
| Topological Polar Surface Area | 104.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.1532 |
| Heavy Atoms | 30 |
| Complexity | 1107.4287 |
Chemical Identifiers
| CAS Number | 335207-15-3 |
|---|---|
| SMILES | COC(=O)COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NCCC2=CNC3=CC=CC=C32 |
Product Overview
BAS 02577474 (CAS 335207-15-3), with molecular formula C23H21N3O4 and molecular weight 403.15 g/mol. IUPAC: methyl 2-[4-[(E)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-enyl]phenoxy]acetate.
Chemical Property Profile of BAS 02577474
Property Insights of BAS 02577474
The XLogP value of 2.98558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02577474. The TPSA of 104.21 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02577474. Following Lipinski's Rule of Five, BAS 02577474 has 2 hydrogen bond donor(s) and 5 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 02577474?
The CAS number of BAS 02577474 is 335207-15-3.
What is the molecular formula of BAS 02577474?
The molecular formula of BAS 02577474 is C23H21N3O4.
What is the molecular weight of BAS 02577474?
The molecular weight of BAS 02577474 is 403.15 g/mol.
Where can I buy BAS 02577474?
You can request a quote for BAS 02577474 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02577474?
Yes, KEHONG BIO provides custom synthesis services for BAS 02577474 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.