RefChem:118571
TL;DR: RefChem:118571 (CAS 29770-19-2) is a chemical compound with molecular formula C20H25N3O4S2 and molecular weight 435.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-N,N-dimethylaniline;ethyl sulfate
Also Known As: Benzothiazolium, 2-[[[4-(dimethylamino)phenyl]imino]methyl]-3-ethyl-, ethyl sulfate, 2-({[4-(dimethylamino)phenyl]imino}methyl)-3-ethyl-1,3-benzothiazol-3-ium ethyl sulfate, Benzothiazolium, 2-(((4-(dimethylamino)phenyl)imino)methyl)-3-ethyl-, ethyl sulfate (1:1), 2-(N-(p-(Dimethylamino)phenyl)formimidoyl)-3-ethylbenzothiazolium ethyl sulphate, Benzothiazolium, 2-(((4-(dimethylamino)phenyl)imino)methyl)-3-ethyl-, ethyl sulfate
| Molecular Formula | C20H25N3O4S2 |
|---|---|
| Molecular Weight | 435.13 g/mol |
| LogP | 3.5084 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.12866 |
| Heavy Atoms | 29 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 29770-19-2 |
|---|---|
| SMILES | CC[N+]1=C(SC2=CC=CC=C21)C=NC3=CC=C(C=C3)N(C)C.CCOS(=O)(=O)[O-] |
| InChIKey | XJITZQQGJPTYCJ-UHFFFAOYSA-M |
Product Overview
RefChem:118571 (CAS 29770-19-2), with molecular formula C20H25N3O4S2 and molecular weight 435.13 g/mol. IUPAC: 4-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-N,N-dimethylaniline;ethyl sulfate.
Chemical Property Profile of RefChem:118571
Property Insights of RefChem:118571
The XLogP value of 3.5084 indicates that RefChem:118571 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:118571. Following Lipinski's Rule of Five, RefChem:118571 has 0 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 RefChem:118571?
The CAS number of RefChem:118571 is 29770-19-2.
What is the molecular formula of RefChem:118571?
The molecular formula of RefChem:118571 is C20H25N3O4S2.
What is the molecular weight of RefChem:118571?
The molecular weight of RefChem:118571 is 435.13 g/mol.
Where can I buy RefChem:118571?
You can request a quote for RefChem:118571 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118571?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118571 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.