C26H19N3S
TL;DR: C26H19N3S (CAS 58471-77-5) is a chemical compound with molecular formula C26H19N3S and molecular weight 405.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)-1-phenylbut-2-enylidene]propanedinitrile
Also Known As: 2-[4-(1-Ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-phenyl-2-butenylidene]propanedinitrile, Propanedinitrile, (4-(1-ethylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-1-phenyl-2-butenylidene)-, Propanedinitrile, [4-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-phenyl-2-butenylidene]-, Propanedinitrile, 2-(4-(1-ethylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-1-phenyl-2-buten-1-ylidene)-
| Molecular Formula | C26H19N3S |
|---|---|
| Molecular Weight | 405.13 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.12997 |
| Heavy Atoms | 30 |
| Complexity | 796.0 |
Chemical Identifiers
| CAS Number | 58471-77-5 |
|---|---|
| SMILES | CCN1C(=CC=CC(=C(C#N)C#N)C2=CC=CC=C2)SC3=C1C4=CC=CC=C4C=C3 |
| InChIKey | XWYXSKKLNWFZLO-UHFFFAOYSA-N |
Product Overview
C26H19N3S (CAS 58471-77-5), with molecular formula C26H19N3S and molecular weight 405.13 g/mol. IUPAC: 2-[4-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)-1-phenylbut-2-enylidene]propanedinitrile.
Chemical Property Profile of C26H19N3S
Property Insights of C26H19N3S
The XLogP value of 7.0 indicates that C26H19N3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for C26H19N3S. Following Lipinski's Rule of Five, C26H19N3S has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C26H19N3S?
The CAS number of C26H19N3S is 58471-77-5.
What is the molecular formula of C26H19N3S?
The molecular formula of C26H19N3S is C26H19N3S.
What is the molecular weight of C26H19N3S?
The molecular weight of C26H19N3S is 405.13 g/mol.
Where can I buy C26H19N3S?
You can request a quote for C26H19N3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C26H19N3S?
Yes, KEHONG BIO provides custom synthesis services for C26H19N3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.