C23H26N3.1/2C10H6O6S2
TL;DR: C23H26N3.1/2C10H6O6S2 (CAS 68957-48-2) is a chemical compound with molecular formula C56H58N6O6S2 and molecular weight 974.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-[N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile);naphthalene-1,5-disulfonate
Also Known As: C23H26N3.1/2C10H6O6S2, C23-H26-N3.1/2C10-H6-O6-S2, 3H-Indolium, 2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, 1,5-naphthalenedisulfonate (2:1), 3H-Indolium, 2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, salt with 1,5-naphthalenedisulfonic acid (2:1), 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, 1,5-naphthalenedisulfonate (2:1)
| Molecular Formula | C56H58N6O6S2 |
|---|---|
| Molecular Weight | 974.39 g/mol |
| LogP | 10.16 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 974.3859 |
| Heavy Atoms | 70 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 68957-48-2 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCC#N)C)C.CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCC#N)C)C.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-] |
| InChIKey | DFMRHUKKUZLDMN-UHFFFAOYSA-L |
Product Overview
C23H26N3.1/2C10H6O6S2 (CAS 68957-48-2), with molecular formula C56H58N6O6S2 and molecular weight 974.39 g/mol. IUPAC: bis(3-[N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile);naphthalene-1,5-disulfonate.
Chemical Property Profile of C23H26N3.1/2C10H6O6S2
Property Insights of C23H26N3.1/2C10H6O6S2
The XLogP value of 10.16 indicates that C23H26N3.1/2C10H6O6S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 191.0 Ų indicates high polarity, suggesting C23H26N3.1/2C10H6O6S2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C23H26N3.1/2C10H6O6S2 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C23H26N3.1/2C10H6O6S2?
The CAS number of C23H26N3.1/2C10H6O6S2 is 68957-48-2.
What is the molecular formula of C23H26N3.1/2C10H6O6S2?
The molecular formula of C23H26N3.1/2C10H6O6S2 is C56H58N6O6S2.
What is the molecular weight of C23H26N3.1/2C10H6O6S2?
The molecular weight of C23H26N3.1/2C10H6O6S2 is 974.39 g/mol.
Where can I buy C23H26N3.1/2C10H6O6S2?
You can request a quote for C23H26N3.1/2C10H6O6S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H26N3.1/2C10H6O6S2?
Yes, KEHONG BIO provides custom synthesis services for C23H26N3.1/2C10H6O6S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.