RefChem:164683
TL;DR: RefChem:164683 (CAS 72391-22-1) is a chemical compound with molecular formula C23H23IN2S and molecular weight 486.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-1-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)prop-1-en-2-yl]-4-methylaniline iodide
Also Known As: 1-Ethyl-2-(2-(4-toluidino)-1-propenyl)naphtho(1,2-d)thiazolium iodide, Naphtho(1,2-d)thiazolium, 1-ethyl-2-(2-((4-methylphenyl)amino)-1-propenyl)-, iodide, Naphtho(1,2-d)thiazolium, 1-ethyl-2-(2-((4-methylphenyl)amino)-1-propen-1-yl)-, iodide (1:1), Naphtho[1,2-d]thiazolium, 1-ethyl-2-[2-[(4-methylphenyl)amino]-1-propenyl]-, iodide, Naphtho[1,2-d]thiazolium, 1-ethyl-2-[2-[(4-methylphenyl)amino]-1-propen-1-yl]-, iodide (1:1)
| Molecular Formula | C23H23IN2S |
|---|---|
| Molecular Weight | 486.06 g/mol |
| LogP | 3.14722 |
| Topological Polar Surface Area | 15.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 486.06268 |
| Heavy Atoms | 27 |
| Complexity | 1110.599 |
Chemical Identifiers
| CAS Number | 72391-22-1 |
|---|---|
| SMILES | CC[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)/C=C(\C)/NC4=CC=C(C=C4)C.[I-] |
Product Overview
RefChem:164683 (CAS 72391-22-1), with molecular formula C23H23IN2S and molecular weight 486.06 g/mol. IUPAC: N-[(E)-1-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)prop-1-en-2-yl]-4-methylaniline iodide.
Chemical Property Profile of RefChem:164683
Property Insights of RefChem:164683
The XLogP value of 3.14722 indicates that RefChem:164683 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.91 Ų, RefChem:164683 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:164683 has 1 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 RefChem:164683?
The CAS number of RefChem:164683 is 72391-22-1.
What is the molecular formula of RefChem:164683?
The molecular formula of RefChem:164683 is C23H23IN2S.
What is the molecular weight of RefChem:164683?
The molecular weight of RefChem:164683 is 486.06 g/mol.
Where can I buy RefChem:164683?
You can request a quote for RefChem:164683 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:164683?
Yes, KEHONG BIO provides custom synthesis services for RefChem:164683 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.