RefChem:275502
TL;DR: RefChem:275502 (CAS 60810-05-1) is a chemical compound with molecular formula C21H24N6O4S and molecular weight 456.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[N-ethyl-4-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]anilino]-N-(2-hydroxyethyl)-N-methylpropanamide
Also Known As: 3-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)-N-(2-hydroxyethyl)-N-methylpropionamide, 3-[ethyl[4-[ azo]phenyl]amino]-N- -N-methylpropionamide, Propanamide,3-[ethyl[4-[2-(5-nitro-2,1-benzisothiazol-3-yl)diazenyl]phenyl]amino]-N-(2-hydroxyethyl)-N-methyl-, 3-[N-ethyl-4-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]anilino]-N-(2-hydroxyethyl)-N-methylpropanamide, 3-(Ethyl(4-(2-(5-nitro-2,1-benzisothiazol-3-yl)diazenyl)phenyl)amino)-N-(2-hydroxyethyl)-N-methylpropanamide
| Molecular Formula | C21H24N6O4S |
|---|---|
| Molecular Weight | 456.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 456.158 |
| Heavy Atoms | 32 |
| Complexity | 655.0 |
Chemical Identifiers
| CAS Number | 60810-05-1 |
|---|---|
| SMILES | CCN(CCC(=O)N(C)CCO)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-] |
| InChIKey | YGNMNEXULHORSX-UHFFFAOYSA-N |
Product Overview
RefChem:275502 (CAS 60810-05-1), with molecular formula C21H24N6O4S and molecular weight 456.16 g/mol. IUPAC: 3-[N-ethyl-4-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]anilino]-N-(2-hydroxyethyl)-N-methylpropanamide.
Chemical Property Profile of RefChem:275502
Property Insights of RefChem:275502
The XLogP value of 3.5 indicates that RefChem:275502 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting RefChem:275502 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:275502 has 1 hydrogen bond donor(s) and 9 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 RefChem:275502?
The CAS number of RefChem:275502 is 60810-05-1.
What is the molecular formula of RefChem:275502?
The molecular formula of RefChem:275502 is C21H24N6O4S.
What is the molecular weight of RefChem:275502?
The molecular weight of RefChem:275502 is 456.16 g/mol.
Where can I buy RefChem:275502?
You can request a quote for RefChem:275502 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:275502?
Yes, KEHONG BIO provides custom synthesis services for RefChem:275502 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.