CAS 93981-79-4 - C21H32ClN3O3
TL;DR: CAS 93981-79-4 - C21H32ClN3O3 (CAS 93981-79-4) is a chemical compound with molecular formula C21H32ClN3O3 and molecular weight 409.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxyethyl-(3-hydroxypropyl)-dimethylazanium chloride
Also Known As: [2-[[2-Cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]ethyl](3-hydroxypropyl)dimethylammonium chloride
| Molecular Formula | C21H32ClN3O3 |
|---|---|
| Molecular Weight | 409.21 g/mol |
| LogP | -0.55422 |
| Topological Polar Surface Area | 73.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 409.21323 |
| Heavy Atoms | 28 |
| Complexity | 662.4685 |
Chemical Identifiers
| CAS Number | 93981-79-4 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC[N+](C)(C)CCCO.[Cl-] |
Product Overview
CAS 93981-79-4 - C21H32ClN3O3 (CAS 93981-79-4), with molecular formula C21H32ClN3O3 and molecular weight 409.21 g/mol. IUPAC: 2-[2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxyethyl-(3-hydroxypropyl)-dimethylazanium chloride.
Chemical Property Profile of CAS 93981-79-4 - C21H32ClN3O3
Property Insights of CAS 93981-79-4 - C21H32ClN3O3
The XLogP value of -0.55422 indicates that CAS 93981-79-4 - C21H32ClN3O3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.56 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 93981-79-4 - C21H32ClN3O3. Following Lipinski's Rule of Five, CAS 93981-79-4 - C21H32ClN3O3 has 1 hydrogen bond donor(s) and 5 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 CAS 93981-79-4 - C21H32ClN3O3?
The CAS number of CAS 93981-79-4 - C21H32ClN3O3 is 93981-79-4.
What is the molecular formula of CAS 93981-79-4 - C21H32ClN3O3?
The molecular formula of CAS 93981-79-4 - C21H32ClN3O3 is C21H32ClN3O3.
What is the molecular weight of CAS 93981-79-4 - C21H32ClN3O3?
The molecular weight of CAS 93981-79-4 - C21H32ClN3O3 is 409.21 g/mol.
Where can I buy CAS 93981-79-4 - C21H32ClN3O3?
You can request a quote for CAS 93981-79-4 - C21H32ClN3O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 93981-79-4 - C21H32ClN3O3?
Yes, KEHONG BIO provides custom synthesis services for CAS 93981-79-4 - C21H32ClN3O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.