ChemDiv1_002560
TL;DR: ChemDiv1_002560 (CAS 330208-98-5) is a chemical compound with molecular formula C23H16N4O6S and molecular weight 476.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(2,4-dimethoxyanilino)-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: ChemDiv1_002560, (2Z)-3-[(2,4-dimethoxyphenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, (Z)-3-((2,4-dimethoxyphenyl)amino)-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile, (Z)-3-(2,4-dimethoxyanilino)-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C23H16N4O6S |
|---|---|
| Molecular Weight | 476.08 g/mol |
| LogP | 4.81848 |
| Topological Polar Surface Area | 140.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.07904 |
| Heavy Atoms | 34 |
| Complexity | 1532.738 |
Chemical Identifiers
| CAS Number | 330208-98-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)N/C=C(/C#N)\C2=NC(=CS2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O)OC |
Product Overview
ChemDiv1_002560 (CAS 330208-98-5), with molecular formula C23H16N4O6S and molecular weight 476.08 g/mol. IUPAC: (Z)-3-(2,4-dimethoxyanilino)-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of ChemDiv1_002560
Property Insights of ChemDiv1_002560
The XLogP value of 4.81848 indicates that ChemDiv1_002560 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.52 Ų indicates high polarity, suggesting ChemDiv1_002560 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_002560 has 1 hydrogen bond donor(s) and 10 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 ChemDiv1_002560?
The CAS number of ChemDiv1_002560 is 330208-98-5.
What is the molecular formula of ChemDiv1_002560?
The molecular formula of ChemDiv1_002560 is C23H16N4O6S.
What is the molecular weight of ChemDiv1_002560?
The molecular weight of ChemDiv1_002560 is 476.08 g/mol.
Where can I buy ChemDiv1_002560?
You can request a quote for ChemDiv1_002560 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002560?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002560 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.