C22H26ClN2.C2H3O2
TL;DR: C22H26ClN2.C2H3O2 (CAS 72252-45-0) is a chemical compound with molecular formula C24H29ClN2O2 and molecular weight 412.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyl)-N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline acetate
Also Known As: 2-(2-(4-((2-Chloroethyl)methylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium acetate, 2-[2-[4-[(2-CHLOROETHYL)METHYLAMINO]PHENYL]VINYL]-1,3,3-TRIMETHYL-3H-INDOLIUM ACETATE, 3H-Indolium, 2-(2-(4-((2-chloroethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, acetate, 3H-Indolium, 2-(2-(4-((2-chloroethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, acetate (1:1), 3H-Indolium, 2-[2-[4-[(2-chloroethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, acetate
| Molecular Formula | C24H29ClN2O2 |
|---|---|
| Molecular Weight | 412.19 g/mol |
| LogP | 3.8372 |
| Topological Polar Surface Area | 46.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.19174 |
| Heavy Atoms | 29 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 72252-45-0 |
|---|---|
| SMILES | CC(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCCl)C)C |
| InChIKey | GMIHMJDYWZDDEC-UHFFFAOYSA-M |
Product Overview
C22H26ClN2.C2H3O2 (CAS 72252-45-0), with molecular formula C24H29ClN2O2 and molecular weight 412.19 g/mol. IUPAC: N-(2-chloroethyl)-N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline acetate.
Chemical Property Profile of C22H26ClN2.C2H3O2
Property Insights of C22H26ClN2.C2H3O2
The XLogP value of 3.8372 indicates that C22H26ClN2.C2H3O2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.4 Ų, C22H26ClN2.C2H3O2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C22H26ClN2.C2H3O2 has 0 hydrogen bond donor(s) and 3 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 C22H26ClN2.C2H3O2?
The CAS number of C22H26ClN2.C2H3O2 is 72252-45-0.
What is the molecular formula of C22H26ClN2.C2H3O2?
The molecular formula of C22H26ClN2.C2H3O2 is C24H29ClN2O2.
What is the molecular weight of C22H26ClN2.C2H3O2?
The molecular weight of C22H26ClN2.C2H3O2 is 412.19 g/mol.
Where can I buy C22H26ClN2.C2H3O2?
You can request a quote for C22H26ClN2.C2H3O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H26ClN2.C2H3O2?
Yes, KEHONG BIO provides custom synthesis services for C22H26ClN2.C2H3O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.