DASBTI
TL;DR: DASBTI (CAS 3028-97-5) is a chemical compound with molecular formula C19H21IN2S and molecular weight 436.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethylaniline iodide
Also Known As: DASBTI, 2-[(1E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-ethyl-1,3-benzothiazol-3-ium iodide, (E)-2-(4-(Dimethylamino)styryl)-3-ethylbenzo[d]thiazol-3-ium iodide, 2-(4-(Dimethylamino)styryl)-3-ethylbenzo[d]thiazol-3-iumiodide, (E)-2-[2-(4-Dimethylaminophenyl)vinyl]-3-ethylbenzothiazol-3-ium iodide
| Molecular Formula | C19H21IN2S |
|---|---|
| Molecular Weight | 436.05 g/mol |
| LogP | 1.4491 |
| Topological Polar Surface Area | 7.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.04703 |
| Heavy Atoms | 23 |
| Complexity | 803.8526 |
Chemical Identifiers
| CAS Number | 3028-97-5 |
|---|---|
| SMILES | CC[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N(C)C.[I-] |
Product Overview
DASBTI (CAS 3028-97-5), with molecular formula C19H21IN2S and molecular weight 436.05 g/mol. IUPAC: 4-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethylaniline iodide.
Chemical Property Profile of DASBTI
Property Insights of DASBTI
The XLogP value of 1.4491 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DASBTI. With a topological polar surface area (TPSA) of 7.12 Ų, DASBTI exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, DASBTI has 0 hydrogen bond donor(s) and 2 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 DASBTI?
The CAS number of DASBTI is 3028-97-5.
What is the molecular formula of DASBTI?
The molecular formula of DASBTI is C19H21IN2S.
What is the molecular weight of DASBTI?
The molecular weight of DASBTI is 436.05 g/mol.
Where can I buy DASBTI?
You can request a quote for DASBTI directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DASBTI?
Yes, KEHONG BIO provides custom synthesis services for DASBTI and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.