4-Methylumbelliferyl-4-trimethylammonium cinnamate
TL;DR: 4-Methylumbelliferyl-4-trimethylammonium cinnamate (CAS 41236-02-6) is a chemical compound with molecular formula C22H22ClNO4 and molecular weight 399.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[4-[(E)-3-(4-methyl-2-oxochromen-7-yl)oxy-3-oxoprop-1-enyl]phenyl]azanium chloride
Also Known As: Mutmac, 4-Methylumbelliferyl-4-trimethylammonium cinnamate, 4-Methylumbelliferyl-p-trimethylammonium cinnamate, 4-Methylumbelliferyl p-trimethylammoniocinnamate chloride, 4-METHYLUMBELLIFERYLP-TRIMETHYLAMMONIUMCINNAMATECHLORIDE
| Molecular Formula | C22H22ClNO4 |
|---|---|
| Molecular Weight | 399.12 g/mol |
| LogP | 0.92092 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.12375 |
| Heavy Atoms | 28 |
| Complexity | 1076.3724 |
Chemical Identifiers
| CAS Number | 41236-02-6 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)/C=C/C3=CC=C(C=C3)[N+](C)(C)C.[Cl-] |
Product Overview
4-Methylumbelliferyl-4-trimethylammonium cinnamate (CAS 41236-02-6), with molecular formula C22H22ClNO4 and molecular weight 399.12 g/mol. IUPAC: trimethyl-[4-[(E)-3-(4-methyl-2-oxochromen-7-yl)oxy-3-oxoprop-1-enyl]phenyl]azanium chloride.
Chemical Property Profile of 4-Methylumbelliferyl-4-trimethylammonium cinnamate
Property Insights of 4-Methylumbelliferyl-4-trimethylammonium cinnamate
The XLogP value of 0.92092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylumbelliferyl-4-trimethylammonium cinnamate. With a topological polar surface area (TPSA) of 56.51 Ų, 4-Methylumbelliferyl-4-trimethylammonium cinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylumbelliferyl-4-trimethylammonium cinnamate has 0 hydrogen bond donor(s) and 4 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 4-Methylumbelliferyl-4-trimethylammonium cinnamate?
The CAS number of 4-Methylumbelliferyl-4-trimethylammonium cinnamate is 41236-02-6.
What is the molecular formula of 4-Methylumbelliferyl-4-trimethylammonium cinnamate?
The molecular formula of 4-Methylumbelliferyl-4-trimethylammonium cinnamate is C22H22ClNO4.
What is the molecular weight of 4-Methylumbelliferyl-4-trimethylammonium cinnamate?
The molecular weight of 4-Methylumbelliferyl-4-trimethylammonium cinnamate is 399.12 g/mol.
Where can I buy 4-Methylumbelliferyl-4-trimethylammonium cinnamate?
You can request a quote for 4-Methylumbelliferyl-4-trimethylammonium cinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylumbelliferyl-4-trimethylammonium cinnamate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylumbelliferyl-4-trimethylammonium cinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.