(C12-H18-N.C10-H10.C3-H3-N.Cl)x-
TL;DR: (C12-H18-N.C10-H10.C3-H3-N.Cl)x- (CAS 65899-94-7) is a chemical compound with molecular formula C25H31ClN2 and molecular weight 394.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-bis(ethenyl)benzene;(2-ethenylphenyl)methyl-trimethylazanium;prop-2-enenitrile;chloride
Also Known As: (C12-H18-N.C10-H10.C3-H3-N.Cl)x-, 1,2-bis(ethenyl)benzene; (2-ethenylphenyl)methyl-trimethylazanium; prop-2-enenitrile; chloride, 1,2-diethenylbenzene; (2-ethenylphenyl)methyl-trimethyl-azanium; Prop-2-enenitrile; Chloride, Benzenemethanaminium, ar-ethenyl-N,N,N-trimethyl-, chloride (1:1), polymer with diethenylbenzene and 2-propenenitrile, Benzenemethanaminium, ar-ethenyl-N,N,N-trimethyl-, chloride, polymer with diethenylbenzene and 2-propenenitrile
| Molecular Formula | C25H31ClN2 |
|---|---|
| Molecular Weight | 394.22 g/mol |
| LogP | 3.20838 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.2176 |
| Heavy Atoms | 28 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 65899-94-7 |
|---|---|
| SMILES | C[N+](C)(C)CC1=CC=CC=C1C=C.C=CC#N.C=CC1=CC=CC=C1C=C.[Cl-] |
| InChIKey | YLHVSUWIRSPXST-UHFFFAOYSA-M |
Product Overview
(C12-H18-N.C10-H10.C3-H3-N.Cl)x- (CAS 65899-94-7), with molecular formula C25H31ClN2 and molecular weight 394.22 g/mol. IUPAC: 1,2-bis(ethenyl)benzene;(2-ethenylphenyl)methyl-trimethylazanium;prop-2-enenitrile;chloride.
Chemical Property Profile of (C12-H18-N.C10-H10.C3-H3-N.Cl)x-
Property Insights of (C12-H18-N.C10-H10.C3-H3-N.Cl)x-
The XLogP value of 3.20838 indicates that (C12-H18-N.C10-H10.C3-H3-N.Cl)x- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, (C12-H18-N.C10-H10.C3-H3-N.Cl)x- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (C12-H18-N.C10-H10.C3-H3-N.Cl)x- 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 (C12-H18-N.C10-H10.C3-H3-N.Cl)x-?
The CAS number of (C12-H18-N.C10-H10.C3-H3-N.Cl)x- is 65899-94-7.
What is the molecular formula of (C12-H18-N.C10-H10.C3-H3-N.Cl)x-?
The molecular formula of (C12-H18-N.C10-H10.C3-H3-N.Cl)x- is C25H31ClN2.
What is the molecular weight of (C12-H18-N.C10-H10.C3-H3-N.Cl)x-?
The molecular weight of (C12-H18-N.C10-H10.C3-H3-N.Cl)x- is 394.22 g/mol.
Where can I buy (C12-H18-N.C10-H10.C3-H3-N.Cl)x-?
You can request a quote for (C12-H18-N.C10-H10.C3-H3-N.Cl)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C12-H18-N.C10-H10.C3-H3-N.Cl)x-?
Yes, KEHONG BIO provides custom synthesis services for (C12-H18-N.C10-H10.C3-H3-N.Cl)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.