![Benzenesulfonic acid, 4-[[5-cyano-1,6-dihydro-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]azo]-, phenyl ester structure](/static/products/7215/72152-88-6.webp)
Benzenesulfonic acid, 4-[[5-cyano-1,6-dihydro-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]azo]-, phenyl ester
TL;DR: Benzenesulfonic acid, 4-[[5-cyano-1,6-dihydro-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]azo]-, phenyl ester (CAS 72152-88-6) is a chemical compound with molecular formula C23H22N4O6S and molecular weight 482.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 4-[[5-cyano-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]benzenesulfonate
Also Known As: Benzenesulfonic acid, 4-[[5-cyano-1,6-dihydro-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]azo]-, phenyl ester, 6-Hydroxy-1-(3-methoxypropyl)-4-methyl-5-((4-(phenoxysulfonyl)phenyl)azo)-3-pyridinecarbonitrile, Benzenesulfonic acid, 4-((5-cyano-1,6-dihydro-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl)azo)-, phenyl ester, Benzenesulfonic acid, 4-(2-(5-cyano-1,6-dihydro-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl)diazenyl)-, phenyl ester, Benzenesulfonic acid,4-[2-[5-cyano-1,6-dihydro-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]diazenyl]-,phenyl ester
| Molecular Formula | C23H22N4O6S |
|---|---|
| Molecular Weight | 482.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 482.126 |
| Heavy Atoms | 34 |
| Complexity | 990.0 |
Chemical Identifiers
| CAS Number | 72152-88-6 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=C1C#N)O)CCCOC)N=NC2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC=C3 |
| InChIKey | AWTUFJWRDKTBAJ-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid, 4-[[5-cyano-1,6-dihydro-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]azo]-, phenyl ester (CAS 72152-88-6), with molecular formula C23H22N4O6S and molecular weight 482.13 g/mol. IUPAC: phenyl 4-[[5-cyano-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]benzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 4-[[5-cyano-1,6-dihydro-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]azo]-, phenyl ester
Property Insights of Benzenesulfonic acid, 4-[[5-cyano-1,6-dihydro-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]azo]-, phenyl ester
The XLogP value of 3.4 indicates that Benzenesulfonic acid, 4-[[5-cyano-1,6-dihydro-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]azo]-, phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting Benzenesulfonic acid, 4-[[5-cyano-1,6-dihydro-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]azo]-, phenyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-[[5-cyano-1,6-dihydro-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]azo]-, phenyl ester has 1 hydrogen bond donor(s) and 9 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 Benzenesulfonic acid, 4-[[5-cyano-1,6-dihydro-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]azo]-, phenyl ester?
The CAS number of Benzenesulfonic acid, 4-[[5-cyano-1,6-dihydro-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]azo]-, phenyl ester is 72152-88-6.
What is the molecular formula of Benzenesulfonic acid, 4-[[5-cyano-1,6-dihydro-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]azo]-, phenyl ester?
The molecular formula of Benzenesulfonic acid, 4-[[5-cyano-1,6-dihydro-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]azo]-, phenyl ester is C23H22N4O6S.
What is the molecular weight of Benzenesulfonic acid, 4-[[5-cyano-1,6-dihydro-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]azo]-, phenyl ester?
The molecular weight of Benzenesulfonic acid, 4-[[5-cyano-1,6-dihydro-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]azo]-, phenyl ester is 482.13 g/mol.
Where can I buy Benzenesulfonic acid, 4-[[5-cyano-1,6-dihydro-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]azo]-, phenyl ester?
You can request a quote for Benzenesulfonic acid, 4-[[5-cyano-1,6-dihydro-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]azo]-, phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 4-[[5-cyano-1,6-dihydro-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]azo]-, phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 4-[[5-cyano-1,6-dihydro-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]azo]-, phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.