RefChem:592016
TL;DR: RefChem:592016 (CAS 70660-53-6) is a chemical compound with molecular formula C22H23N5O6S and molecular weight 485.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(2-acetyloxyethyl)-3-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl acetate
Also Known As: 2,2'-[[3-METHYL-4-[(6-NITROBENZOTHIAZOL-2-YL)AZO]PHENYL]IMINO]BISETHYL DIACETATE, Ethanol, 2,2'-[[3-methyl-4-[(6-nitro-2-benzothiazolyl)azo]phenyl]imino]bis-, diacetate (ester), 2,2'-3-Methyl-4-(6-nitrobenzothiazol-2-yl)azophenyliminobisethyl diacetate, 2,2'-((3-Methyl-4-((6-nitro-2-benzothiazolyl)azo)phenyl)imino)bis(ethanol), diacetate (ester), 2,2'-((3-Methyl-4-((6-nitrobenzothiazol-2-yl)azo)phenyl)imino)bisethyl diacetate
| Molecular Formula | C22H23N5O6S |
|---|---|
| Molecular Weight | 485.14 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 485.1369 |
| Heavy Atoms | 34 |
| Complexity | 730.0 |
Chemical Identifiers
| CAS Number | 70660-53-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] |
| InChIKey | QWTGQMDYCRRUTB-UHFFFAOYSA-N |
Product Overview
RefChem:592016 (CAS 70660-53-6), with molecular formula C22H23N5O6S and molecular weight 485.14 g/mol. IUPAC: 2-[N-(2-acetyloxyethyl)-3-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl acetate.
Chemical Property Profile of RefChem:592016
Property Insights of RefChem:592016
The XLogP value of 4.6 indicates that RefChem:592016 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 168.0 Ų indicates high polarity, suggesting RefChem:592016 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:592016 has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:592016?
The CAS number of RefChem:592016 is 70660-53-6.
What is the molecular formula of RefChem:592016?
The molecular formula of RefChem:592016 is C22H23N5O6S.
What is the molecular weight of RefChem:592016?
The molecular weight of RefChem:592016 is 485.14 g/mol.
Where can I buy RefChem:592016?
You can request a quote for RefChem:592016 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:592016?
Yes, KEHONG BIO provides custom synthesis services for RefChem:592016 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.