5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate
TL;DR: 5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate (CAS 442679-46-1) is a chemical compound with molecular formula C20H21N3O8S and molecular weight 463.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] 3,4,5-trimethoxybenzoate
Also Known As: UPCMLD0ENAT5662474:001, 5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate, AB00668363-01, F0549-0394, [5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] 3,4,5-trimethoxybenzoate
| Molecular Formula | C20H21N3O8S |
|---|---|
| Molecular Weight | 463.10 g/mol |
| LogP | 1.9559 |
| Topological Polar Surface Area | 141.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 463.10495 |
| Heavy Atoms | 32 |
| Complexity | 1211.226 |
Chemical Identifiers
| CAS Number | 442679-46-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)N |
Product Overview
5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate (CAS 442679-46-1), with molecular formula C20H21N3O8S and molecular weight 463.10 g/mol. IUPAC: [5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate
Property Insights of 5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate
The XLogP value of 1.9559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate. The TPSA of 141.2 Ų indicates high polarity, suggesting 5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate has 1 hydrogen bond donor(s) and 10 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 5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate?
The CAS number of 5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate is 442679-46-1.
What is the molecular formula of 5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate?
The molecular formula of 5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate is C20H21N3O8S.
What is the molecular weight of 5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate?
The molecular weight of 5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate is 463.10 g/mol.
Where can I buy 5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate?
You can request a quote for 5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.