C29H49N2O4.Cl
TL;DR: C29H49N2O4.Cl (CAS 68598-06-1) is a chemical compound with molecular formula C29H49ClN2O4 and molecular weight 524.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-methoxy-3-(2-nitroprop-1-enyl)phenyl]methyl]-4-tetradecylmorpholin-4-ium chloride
Also Known As: IPO 2496, Morpholinium, 4-((4-methoxy-3-(2-nitro-1-propenyl)phenyl)methyl)-4-tetradecyl-, chloride, 4-((4-Methoxy-3-(2-nitro-1-propenyl)phenyl)methyl)-4-tetradecylmorpholinium chloride
| Molecular Formula | C29H49ClN2O4 |
|---|---|
| Molecular Weight | 524.34 g/mol |
| LogP | 4.3848 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 17 |
| Exact Mass | 524.3381 |
| Heavy Atoms | 36 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 68598-06-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCC[N+]1(CCOCC1)CC2=CC(=C(C=C2)OC)C=C(C)[N+](=O)[O-].[Cl-] |
| InChIKey | ILSCDEDXLJRBEZ-UHFFFAOYSA-M |
Product Overview
C29H49N2O4.Cl (CAS 68598-06-1), with molecular formula C29H49ClN2O4 and molecular weight 524.34 g/mol. IUPAC: 4-[[4-methoxy-3-(2-nitroprop-1-enyl)phenyl]methyl]-4-tetradecylmorpholin-4-ium chloride.
Chemical Property Profile of C29H49N2O4.Cl
Property Insights of C29H49N2O4.Cl
The XLogP value of 4.3848 indicates that C29H49N2O4.Cl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for C29H49N2O4.Cl. Following Lipinski's Rule of Five, C29H49N2O4.Cl has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C29H49N2O4.Cl?
The CAS number of C29H49N2O4.Cl is 68598-06-1.
What is the molecular formula of C29H49N2O4.Cl?
The molecular formula of C29H49N2O4.Cl is C29H49ClN2O4.
What is the molecular weight of C29H49N2O4.Cl?
The molecular weight of C29H49N2O4.Cl is 524.34 g/mol.
Where can I buy C29H49N2O4.Cl?
You can request a quote for C29H49N2O4.Cl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C29H49N2O4.Cl?
Yes, KEHONG BIO provides custom synthesis services for C29H49N2O4.Cl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.