6-Nitro-3-(2-(phenylamino)thiazol-4-yl)-2H-chromen-2-one
TL;DR: 6-Nitro-3-(2-(phenylamino)thiazol-4-yl)-2H-chromen-2-one (CAS 313985-59-0) is a chemical compound with molecular formula C18H11N3O4S and molecular weight 365.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-anilino-1,3-thiazol-4-yl)-6-nitrochromen-2-one
Also Known As: CK2-IN-4, 6-Nitro-3-(2-(phenylamino)thiazol-4-yl)-2H-chromen-2-one, EX-A6530, BAS 01020272, AB01289110-01
| Molecular Formula | C18H11N3O4S |
|---|---|
| Molecular Weight | 365.05 g/mol |
| LogP | 4.5683 |
| Topological Polar Surface Area | 98.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.04703 |
| Heavy Atoms | 26 |
| Complexity | 1167.9988 |
Chemical Identifiers
| CAS Number | 313985-59-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NC(=CS2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O |
Product Overview
6-Nitro-3-(2-(phenylamino)thiazol-4-yl)-2H-chromen-2-one (CAS 313985-59-0), with molecular formula C18H11N3O4S and molecular weight 365.05 g/mol. IUPAC: 3-(2-anilino-1,3-thiazol-4-yl)-6-nitrochromen-2-one.
Chemical Property Profile of 6-Nitro-3-(2-(phenylamino)thiazol-4-yl)-2H-chromen-2-one
Property Insights of 6-Nitro-3-(2-(phenylamino)thiazol-4-yl)-2H-chromen-2-one
The XLogP value of 4.5683 indicates that 6-Nitro-3-(2-(phenylamino)thiazol-4-yl)-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-3-(2-(phenylamino)thiazol-4-yl)-2H-chromen-2-one. Following Lipinski's Rule of Five, 6-Nitro-3-(2-(phenylamino)thiazol-4-yl)-2H-chromen-2-one has 1 hydrogen bond donor(s) and 7 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 6-Nitro-3-(2-(phenylamino)thiazol-4-yl)-2H-chromen-2-one?
The CAS number of 6-Nitro-3-(2-(phenylamino)thiazol-4-yl)-2H-chromen-2-one is 313985-59-0.
What is the molecular formula of 6-Nitro-3-(2-(phenylamino)thiazol-4-yl)-2H-chromen-2-one?
The molecular formula of 6-Nitro-3-(2-(phenylamino)thiazol-4-yl)-2H-chromen-2-one is C18H11N3O4S.
What is the molecular weight of 6-Nitro-3-(2-(phenylamino)thiazol-4-yl)-2H-chromen-2-one?
The molecular weight of 6-Nitro-3-(2-(phenylamino)thiazol-4-yl)-2H-chromen-2-one is 365.05 g/mol.
Where can I buy 6-Nitro-3-(2-(phenylamino)thiazol-4-yl)-2H-chromen-2-one?
You can request a quote for 6-Nitro-3-(2-(phenylamino)thiazol-4-yl)-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitro-3-(2-(phenylamino)thiazol-4-yl)-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-3-(2-(phenylamino)thiazol-4-yl)-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.