RefChem:272880
TL;DR: RefChem:272880 (CAS 33979-43-0) is a chemical compound with molecular formula C20H17Cl2N5O2S and molecular weight 461.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(2-cyanoethyl)-4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl acetate
Also Known As: Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-((5,6-dichloro-2-benzothiazolyl)azo)phenyl)amino)-, Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(5,6-dichloro-2-benzothiazolyl)azo]phenyl]amino]-, 3-[[2-(Acetyloxy)ethyl][4-[2-(5,6-dichloro-2-benzothiazolyl)diazenyl]phenyl]amino]propanenitrile, Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-(2-(5,6-dichloro-2-benzothiazolyl)diazenyl)phenyl)amino)-, Propanonitrile, 3-((2-hydroxyethyl)(4-((5,6-dichloro-1,3-benzothiazol-2-yl)azo)phenyl)amino)-, acetate ester
| Molecular Formula | C20H17Cl2N5O2S |
|---|---|
| Molecular Weight | 461.05 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 461.048 |
| Heavy Atoms | 30 |
| Complexity | 652.0 |
Chemical Identifiers
| CAS Number | 33979-43-0 |
|---|---|
| SMILES | CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=NC3=CC(=C(C=C3S2)Cl)Cl |
| InChIKey | QRXUCDVMWAKUQV-UHFFFAOYSA-N |
Product Overview
RefChem:272880 (CAS 33979-43-0), with molecular formula C20H17Cl2N5O2S and molecular weight 461.05 g/mol. IUPAC: 2-[N-(2-cyanoethyl)-4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl acetate.
Chemical Property Profile of RefChem:272880
Property Insights of RefChem:272880
The XLogP value of 5.4 indicates that RefChem:272880 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:272880. Following Lipinski's Rule of Five, RefChem:272880 has 0 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 RefChem:272880?
The CAS number of RefChem:272880 is 33979-43-0.
What is the molecular formula of RefChem:272880?
The molecular formula of RefChem:272880 is C20H17Cl2N5O2S.
What is the molecular weight of RefChem:272880?
The molecular weight of RefChem:272880 is 461.05 g/mol.
Where can I buy RefChem:272880?
You can request a quote for RefChem:272880 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272880?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.