RefChem:897773
TL;DR: RefChem:897773 (CAS 71002-18-1) is a chemical compound with molecular formula C23H23N5O4S2 and molecular weight 497.12 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-thiocyanato-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl acetate
Also Known As: Thiocyanic acid, 2-[[4-[bis[2-(acetyloxy)ethyl]amino]-2-methylphenyl]azo]-6-benzothiazolyl ester, Thiocyanic acid, 2-((4-(bis(2-(acetyloxy)ethyl)amino)-2-methylphenyl)azo)-6-benzothiazolyl ester, 2-4-bis2-(Acetyloxy)ethylamino-2-methylphenylazobenzothiazol-6-yl thiocyanate, Thiocyanic acid, 2-((4-((bis(2-(acetyloxy)ethyl))amino)-2-methylphenyl)azo)-6-benzothiazolyl ester, Thiocyanic acid, 2-(2-(4-(bis(2-(acetyloxy)ethyl)amino)-2-methylphenyl)diazenyl)-6-benzothiazolyl ester
| Molecular Formula | C23H23N5O4S2 |
|---|---|
| Molecular Weight | 497.12 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 497.11914 |
| Heavy Atoms | 34 |
| Complexity | 756.0 |
Chemical Identifiers
| CAS Number | 71002-18-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=NC3=C(S2)C=C(C=C3)SC#N |
| InChIKey | PUGQCSKAHXIMHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:897773 (CAS 71002-18-1), with molecular formula C23H23N5O4S2 and molecular weight 497.12 g/mol. IUPAC: 2-[N-(2-acetyloxyethyl)-3-methyl-4-[(6-thiocyanato-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl acetate.
Chemical Property Profile of RefChem:897773
Property Insights of RefChem:897773
The XLogP value of 5.3 indicates that RefChem:897773 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.0 Ų indicates high polarity, suggesting RefChem:897773 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:897773 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:897773?
The CAS number of RefChem:897773 is 71002-18-1.
What is the molecular formula of RefChem:897773?
The molecular formula of RefChem:897773 is C23H23N5O4S2.
What is the molecular weight of RefChem:897773?
The molecular weight of RefChem:897773 is 497.12 g/mol.
Where can I buy RefChem:897773?
You can request a quote for RefChem:897773 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:897773?
Yes, KEHONG BIO provides custom synthesis services for RefChem:897773 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.