IDI1_020269
TL;DR: IDI1_020269 (CAS 330209-30-8) is a chemical compound with molecular formula C21H12FN3O2S and molecular weight 389.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-fluoroanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: IDI1_020269, (2E)-3-[(2-fluorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, (E)-3-((2-fluorophenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile, (E)-3-(2-fluoroanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C21H12FN3O2S |
|---|---|
| Molecular Weight | 389.06 g/mol |
| LogP | 5.03218 |
| Topological Polar Surface Area | 78.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.06342 |
| Heavy Atoms | 28 |
| Complexity | 1300.7473 |
Chemical Identifiers
| CAS Number | 330209-30-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)/C(=C/NC4=CC=CC=C4F)/C#N |
Product Overview
IDI1_020269 (CAS 330209-30-8), with molecular formula C21H12FN3O2S and molecular weight 389.06 g/mol. IUPAC: (E)-3-(2-fluoroanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of IDI1_020269
Property Insights of IDI1_020269
The XLogP value of 5.03218 indicates that IDI1_020269 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.92 Ų falls within the moderate polarity range, balancing permeability and solubility for IDI1_020269. Following Lipinski's Rule of Five, IDI1_020269 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of IDI1_020269?
The CAS number of IDI1_020269 is 330209-30-8.
What is the molecular formula of IDI1_020269?
The molecular formula of IDI1_020269 is C21H12FN3O2S.
What is the molecular weight of IDI1_020269?
The molecular weight of IDI1_020269 is 389.06 g/mol.
Where can I buy IDI1_020269?
You can request a quote for IDI1_020269 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_020269?
Yes, KEHONG BIO provides custom synthesis services for IDI1_020269 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.