(C11-H21-Cl-N-O3.C5-H8-O2.N-O3)x-
TL;DR: (C11-H21-Cl-N-O3.C5-H8-O2.N-O3)x- (CAS 68845-11-4) is a chemical compound with molecular formula C16H29ClN2O8 and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-2-hydroxypropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;ethyl prop-2-enoate;nitrate
Also Known As: (C11-H21-Cl-N-O3.C5-H8-O2.N-O3)x-, (2-Hydroxy-3-chloropropyl)(methacryloxyethyl)dimethylammonium nitrate, ethyl acrylate polymer, 1-Propanaminium, 3-chloro-2-hydroxy-N,N-dimethyl-N-[2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl]-, nitrate, polymer with ethyl 2-propenoate, (3-chloro-2-hydroxypropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium; ethyl prop-2-enoate; nitrate, 1-Propanaminium, 3-chloro-2-hydroxy-N,N-dimethyl- N-[2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl ]-, nitrate, polymer with ethyl 2-propenoate
| Molecular Formula | C16H29ClN2O8 |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 1.2782 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 412.16125 |
| Heavy Atoms | 27 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 68845-11-4 |
|---|---|
| SMILES | CCOC(=O)C=C.CC(=C)C(=O)OCC[N+](C)(C)CC(CCl)O.[N+](=O)([O-])[O-] |
| InChIKey | UYUVAKXLYUVXOE-UHFFFAOYSA-N |
Product Overview
(C11-H21-Cl-N-O3.C5-H8-O2.N-O3)x- (CAS 68845-11-4), with molecular formula C16H29ClN2O8 and molecular weight 412.16 g/mol. IUPAC: (3-chloro-2-hydroxypropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;ethyl prop-2-enoate;nitrate.
Chemical Property Profile of (C11-H21-Cl-N-O3.C5-H8-O2.N-O3)x-
Property Insights of (C11-H21-Cl-N-O3.C5-H8-O2.N-O3)x-
The XLogP value of 1.2782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C11-H21-Cl-N-O3.C5-H8-O2.N-O3)x-. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (C11-H21-Cl-N-O3.C5-H8-O2.N-O3)x-. Following Lipinski's Rule of Five, (C11-H21-Cl-N-O3.C5-H8-O2.N-O3)x- has 1 hydrogen bond donor(s) and 8 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 (C11-H21-Cl-N-O3.C5-H8-O2.N-O3)x-?
The CAS number of (C11-H21-Cl-N-O3.C5-H8-O2.N-O3)x- is 68845-11-4.
What is the molecular formula of (C11-H21-Cl-N-O3.C5-H8-O2.N-O3)x-?
The molecular formula of (C11-H21-Cl-N-O3.C5-H8-O2.N-O3)x- is C16H29ClN2O8.
What is the molecular weight of (C11-H21-Cl-N-O3.C5-H8-O2.N-O3)x-?
The molecular weight of (C11-H21-Cl-N-O3.C5-H8-O2.N-O3)x- is 412.16 g/mol.
Where can I buy (C11-H21-Cl-N-O3.C5-H8-O2.N-O3)x-?
You can request a quote for (C11-H21-Cl-N-O3.C5-H8-O2.N-O3)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C11-H21-Cl-N-O3.C5-H8-O2.N-O3)x-?
Yes, KEHONG BIO provides custom synthesis services for (C11-H21-Cl-N-O3.C5-H8-O2.N-O3)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.