(S)-2-Methylbutyl 4-(4-decyloxybenzylideneamino)cinnamate
TL;DR: (S)-2-Methylbutyl 4-(4-decyloxybenzylideneamino)cinnamate (CAS 60951-46-4) is a chemical compound with molecular formula C31H43NO3 and molecular weight 477.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbutyl 3-[4-[(4-decoxyphenyl)methylideneamino]phenyl]prop-2-enoate
Also Known As: S-Carboxymethyl>-DL-homocystein, (S)-(+)-2-Methylbutyl 4-(4-decyloxybenz&, 2-Methylbutyl p-decyloxybenzylidene p-aminocinnamate, (S)-2-METHYLBUTYL 4-(4-DECYLOXYBENZYLIDENEAMINO)CINNAMATE, 2-methylbutyl 3-[4-[(4-decoxyphenyl)methylideneamino]phenyl]prop-2-enoate
| Molecular Formula | C31H43NO3 |
|---|---|
| Molecular Weight | 477.32 g/mol |
| LogP | 9.7 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 477.32428 |
| Heavy Atoms | 35 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 60951-46-4 |
|---|---|
| SMILES | CCCCCCCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C=CC(=O)OCC(C)CC |
| InChIKey | UTIMESSLYFMSPO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(S)-2-Methylbutyl 4-(4-decyloxybenzylideneamino)cinnamate (CAS 60951-46-4), with molecular formula C31H43NO3 and molecular weight 477.32 g/mol. IUPAC: 2-methylbutyl 3-[4-[(4-decoxyphenyl)methylideneamino]phenyl]prop-2-enoate.
Chemical Property Profile of (S)-2-Methylbutyl 4-(4-decyloxybenzylideneamino)cinnamate
Property Insights of (S)-2-Methylbutyl 4-(4-decyloxybenzylideneamino)cinnamate
The XLogP value of 9.7 indicates that (S)-2-Methylbutyl 4-(4-decyloxybenzylideneamino)cinnamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, (S)-2-Methylbutyl 4-(4-decyloxybenzylideneamino)cinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-2-Methylbutyl 4-(4-decyloxybenzylideneamino)cinnamate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-2-Methylbutyl 4-(4-decyloxybenzylideneamino)cinnamate?
The CAS number of (S)-2-Methylbutyl 4-(4-decyloxybenzylideneamino)cinnamate is 60951-46-4.
What is the molecular formula of (S)-2-Methylbutyl 4-(4-decyloxybenzylideneamino)cinnamate?
The molecular formula of (S)-2-Methylbutyl 4-(4-decyloxybenzylideneamino)cinnamate is C31H43NO3.
What is the molecular weight of (S)-2-Methylbutyl 4-(4-decyloxybenzylideneamino)cinnamate?
The molecular weight of (S)-2-Methylbutyl 4-(4-decyloxybenzylideneamino)cinnamate is 477.32 g/mol.
Where can I buy (S)-2-Methylbutyl 4-(4-decyloxybenzylideneamino)cinnamate?
You can request a quote for (S)-2-Methylbutyl 4-(4-decyloxybenzylideneamino)cinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-Methylbutyl 4-(4-decyloxybenzylideneamino)cinnamate?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-Methylbutyl 4-(4-decyloxybenzylideneamino)cinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.