4-Butylphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate
TL;DR: 4-Butylphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate (CAS 94349-48-1) is a chemical compound with molecular formula C20H18N2O4S and molecular weight 382.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-butylphenoxy)sulfonyl-2-diazonionaphthalen-1-olate
Also Known As: EINECS 305-166-0, 4-Butylphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate, 4-BUTYLPHENYL 6-DIAZO-5,6-DIHYDRO-5-OXONAPHTHALENE-1-SULFONATE, 5-(4-butylphenoxy)sulfonyl-2-diazonionaphthalen-1-olate, 4-butylphenyl6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate
| Molecular Formula | C20H18N2O4S |
|---|---|
| Molecular Weight | 382.10 g/mol |
| LogP | 4.50828 |
| Topological Polar Surface Area | 94.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.09872 |
| Heavy Atoms | 27 |
| Complexity | 1117.1671 |
Chemical Identifiers
| CAS Number | 94349-48-1 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C=CC(=C3[O-])[N+]#N |
Product Overview
4-Butylphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate (CAS 94349-48-1), with molecular formula C20H18N2O4S and molecular weight 382.10 g/mol. IUPAC: 5-(4-butylphenoxy)sulfonyl-2-diazonionaphthalen-1-olate.
Chemical Property Profile of 4-Butylphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate
Property Insights of 4-Butylphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate
The XLogP value of 4.50828 indicates that 4-Butylphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Butylphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate. Following Lipinski's Rule of Five, 4-Butylphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate has 0 hydrogen bond donor(s) and 5 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-Butylphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate?
The CAS number of 4-Butylphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate is 94349-48-1.
What is the molecular formula of 4-Butylphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate?
The molecular formula of 4-Butylphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate is C20H18N2O4S.
What is the molecular weight of 4-Butylphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate?
The molecular weight of 4-Butylphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate is 382.10 g/mol.
Where can I buy 4-Butylphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate?
You can request a quote for 4-Butylphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butylphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Butylphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.