Ethyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate
TL;DR: Ethyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate (CAS 67749-14-8) is a chemical compound with molecular formula C12H10N2O4S and molecular weight 278.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diazonio-5-ethoxysulfonylnaphthalen-1-olate
Also Known As: EINECS 266-997-1, 2-diazonio-5-ethoxysulfonylnaphthalen-1-olate, Ethyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate, 2-diazonio-5-ethoxysulfonyl-naphthalen-1-olate, ethyl 6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate
| Molecular Formula | C12H10N2O4S |
|---|---|
| Molecular Weight | 278.04 g/mol |
| LogP | 2.12318 |
| Topological Polar Surface Area | 94.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.03613 |
| Heavy Atoms | 19 |
| Complexity | 778.15137 |
Chemical Identifiers
| CAS Number | 67749-14-8 |
|---|---|
| SMILES | CCOS(=O)(=O)C1=CC=CC2=C1C=CC(=C2[O-])[N+]#N |
Product Overview
Ethyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate (CAS 67749-14-8), with molecular formula C12H10N2O4S and molecular weight 278.04 g/mol. IUPAC: 2-diazonio-5-ethoxysulfonylnaphthalen-1-olate.
Chemical Property Profile of Ethyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate
Property Insights of Ethyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate
The XLogP value of 2.12318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate. The TPSA of 94.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate. Following Lipinski's Rule of Five, Ethyl 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 Ethyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate?
The CAS number of Ethyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate is 67749-14-8.
What is the molecular formula of Ethyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate?
The molecular formula of Ethyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate is C12H10N2O4S.
What is the molecular weight of Ethyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate?
The molecular weight of Ethyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate is 278.04 g/mol.
Where can I buy Ethyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate?
You can request a quote for Ethyl 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 Ethyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.