ChemDiv1_002604
TL;DR: ChemDiv1_002604 (CAS 330209-02-4) is a chemical compound with molecular formula C23H16BrN3O4S and molecular weight 509.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(2,5-dimethoxyanilino)prop-2-enenitrile
Also Known As: ChemDiv1_002604, (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(2,5-dimethoxyphenyl)amino]prop-2-enenitrile, (Z)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((2,5-dimethoxyphenyl)amino)acrylonitrile, (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(2,5-dimethoxyanilino)prop-2-enenitrile
| Molecular Formula | C23H16BrN3O4S |
|---|---|
| Molecular Weight | 509.00 g/mol |
| LogP | 5.67278 |
| Topological Polar Surface Area | 97.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 509.0045 |
| Heavy Atoms | 32 |
| Complexity | 1435.4436 |
Chemical Identifiers
| CAS Number | 330209-02-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N/C=C(/C#N)\C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O |
Product Overview
ChemDiv1_002604 (CAS 330209-02-4), with molecular formula C23H16BrN3O4S and molecular weight 509.00 g/mol. IUPAC: (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(2,5-dimethoxyanilino)prop-2-enenitrile.
Chemical Property Profile of ChemDiv1_002604
Property Insights of ChemDiv1_002604
The XLogP value of 5.67278 indicates that ChemDiv1_002604 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.38 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002604. Following Lipinski's Rule of Five, ChemDiv1_002604 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002604?
The CAS number of ChemDiv1_002604 is 330209-02-4.
What is the molecular formula of ChemDiv1_002604?
The molecular formula of ChemDiv1_002604 is C23H16BrN3O4S.
What is the molecular weight of ChemDiv1_002604?
The molecular weight of ChemDiv1_002604 is 509.00 g/mol.
Where can I buy ChemDiv1_002604?
You can request a quote for ChemDiv1_002604 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002604?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002604 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.