ChemDiv1_000807
TL;DR: ChemDiv1_000807 (CAS 374098-72-3) is a chemical compound with molecular formula C25H20BrN3O3S and molecular weight 521.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(3-butoxyanilino)prop-2-enenitrile
Also Known As: ChemDiv1_000807, (2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(3-butoxyphenyl)amino]prop-2-enenitrile, (E)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-butoxyphenyl)amino)acrylonitrile, (E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(3-butoxyanilino)prop-2-enenitrile
| Molecular Formula | C25H20BrN3O3S |
|---|---|
| Molecular Weight | 521.04 g/mol |
| LogP | 6.83448 |
| Topological Polar Surface Area | 88.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 521.0409 |
| Heavy Atoms | 33 |
| Complexity | 1418.4324 |
Chemical Identifiers
| CAS Number | 374098-72-3 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)N/C=C(\C#N)/C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O |
Product Overview
ChemDiv1_000807 (CAS 374098-72-3), with molecular formula C25H20BrN3O3S and molecular weight 521.04 g/mol. IUPAC: (E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(3-butoxyanilino)prop-2-enenitrile.
Chemical Property Profile of ChemDiv1_000807
Property Insights of ChemDiv1_000807
The XLogP value of 6.83448 indicates that ChemDiv1_000807 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000807. Following Lipinski's Rule of Five, ChemDiv1_000807 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_000807?
The CAS number of ChemDiv1_000807 is 374098-72-3.
What is the molecular formula of ChemDiv1_000807?
The molecular formula of ChemDiv1_000807 is C25H20BrN3O3S.
What is the molecular weight of ChemDiv1_000807?
The molecular weight of ChemDiv1_000807 is 521.04 g/mol.
Where can I buy ChemDiv1_000807?
You can request a quote for ChemDiv1_000807 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000807?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000807 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.