methyl-2-methylazulene-1-carboxylate
TL;DR: methyl-2-methylazulene-1-carboxylate (CAS 71923-10-9) is a chemical compound with molecular formula C22H26Cl2N2O3S and molecular weight 468.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylsulfanylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;dihydrochloride
Also Known As: methyl-2-methylazulene-1-carboxylate, 4-(4-(Methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-1,3-dioxol-2-one dihydrochloride, 1,3-Dioxol-2-one, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, dihydrochloride, 4-(4-methylsulfanylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one dihydrochloride, 4-(4-methylsulfanylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one,dihydrochloride
| Molecular Formula | C22H26Cl2N2O3S |
|---|---|
| Molecular Weight | 468.10 g/mol |
| LogP | 4.83 |
| Topological Polar Surface Area | 49.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.10413 |
| Heavy Atoms | 30 |
| Complexity | 952.5189 |
Chemical Identifiers
| CAS Number | 71923-10-9 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C2=C(OC(=O)O2)CCN3CCN(CC3)C4=CC=CC=C4.Cl.Cl |
Product Overview
methyl-2-methylazulene-1-carboxylate (CAS 71923-10-9), with molecular formula C22H26Cl2N2O3S and molecular weight 468.10 g/mol. IUPAC: 4-(4-methylsulfanylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;dihydrochloride.
Chemical Property Profile of methyl-2-methylazulene-1-carboxylate
Property Insights of methyl-2-methylazulene-1-carboxylate
The XLogP value of 4.83 indicates that methyl-2-methylazulene-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.83 Ų, methyl-2-methylazulene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl-2-methylazulene-1-carboxylate has 0 hydrogen bond donor(s) and 6 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 methyl-2-methylazulene-1-carboxylate?
The CAS number of methyl-2-methylazulene-1-carboxylate is 71923-10-9.
What is the molecular formula of methyl-2-methylazulene-1-carboxylate?
The molecular formula of methyl-2-methylazulene-1-carboxylate is C22H26Cl2N2O3S.
What is the molecular weight of methyl-2-methylazulene-1-carboxylate?
The molecular weight of methyl-2-methylazulene-1-carboxylate is 468.10 g/mol.
Where can I buy methyl-2-methylazulene-1-carboxylate?
You can request a quote for methyl-2-methylazulene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl-2-methylazulene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl-2-methylazulene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.