Methyl 4-n-decyloxybenzoate
TL;DR: Methyl 4-n-decyloxybenzoate (CAS 76195-70-5) is a chemical compound with molecular formula C32H29N3O3 and molecular weight 503.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-2-(4-methoxyphenyl)-1H-indole
Also Known As: Methyl 4-n-decyloxybenzoate, 1H-Indole,3-(1,3-bis -2- -, 3-(4,5-Dihydro-1,3-bis(4-methoxyphenyl)-1H-pyrazol-5-yl)-2-(4-methoxyphenyl)-1H-indole, 1H-Indole, 3-(1,3-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl)-2-(4-methoxyphenyl)-, 3-[1,3-Bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-(4-methoxyphenyl)-1H-indole
| Molecular Formula | C32H29N3O3 |
|---|---|
| Molecular Weight | 503.22 g/mol |
| LogP | 7.2164 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.2209 |
| Heavy Atoms | 38 |
| Complexity | 1586.6654 |
Chemical Identifiers
| CAS Number | 76195-70-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN(C(C2)C3=C(NC4=CC=CC=C43)C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC |
Product Overview
Methyl 4-n-decyloxybenzoate (CAS 76195-70-5), with molecular formula C32H29N3O3 and molecular weight 503.22 g/mol. IUPAC: 3-[2,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-2-(4-methoxyphenyl)-1H-indole.
Chemical Property Profile of Methyl 4-n-decyloxybenzoate
Property Insights of Methyl 4-n-decyloxybenzoate
The XLogP value of 7.2164 indicates that Methyl 4-n-decyloxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.08 Ų, Methyl 4-n-decyloxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-n-decyloxybenzoate has 1 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 Methyl 4-n-decyloxybenzoate?
The CAS number of Methyl 4-n-decyloxybenzoate is 76195-70-5.
What is the molecular formula of Methyl 4-n-decyloxybenzoate?
The molecular formula of Methyl 4-n-decyloxybenzoate is C32H29N3O3.
What is the molecular weight of Methyl 4-n-decyloxybenzoate?
The molecular weight of Methyl 4-n-decyloxybenzoate is 503.22 g/mol.
Where can I buy Methyl 4-n-decyloxybenzoate?
You can request a quote for Methyl 4-n-decyloxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-n-decyloxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-n-decyloxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.