1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 2,3-dibromopropyl ester
TL;DR: 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 2,3-dibromopropyl ester (CAS 42372-37-2) is a chemical compound with molecular formula C13H10Br2N2O4S and molecular weight 447.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diazonio-5-(2,3-dibromopropoxysulfonyl)naphthalen-1-olate
Also Known As: 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 2,3-dibromopropyl ester, 2,3-Dibromopropyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate, 2-diazonio-5-(2,3-dibromopropoxysulfonyl)naphthalen-1-olate, Naphthoquinone-1,2-(diazide-2)-5-sulfonic acid, 2',3'-dibromopropyl ester, 2,3-Dibromopropyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulfonate
| Molecular Formula | C13H10Br2N2O4S |
|---|---|
| Molecular Weight | 447.87 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.8728 |
| Heavy Atoms | 22 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 42372-37-2 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=C2[O-])[N+]#N)C(=C1)S(=O)(=O)OCC(CBr)Br |
| InChIKey | QPDJAIAXLQDVMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 2,3-dibromopropyl ester (CAS 42372-37-2), with molecular formula C13H10Br2N2O4S and molecular weight 447.87 g/mol. IUPAC: 2-diazonio-5-(2,3-dibromopropoxysulfonyl)naphthalen-1-olate.
Chemical Property Profile of 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 2,3-dibromopropyl ester
Property Insights of 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 2,3-dibromopropyl ester
The XLogP value of 5.0 indicates that 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 2,3-dibromopropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 2,3-dibromopropyl ester. Following Lipinski's Rule of Five, 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 2,3-dibromopropyl ester 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 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 2,3-dibromopropyl ester?
The CAS number of 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 2,3-dibromopropyl ester is 42372-37-2.
What is the molecular formula of 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 2,3-dibromopropyl ester?
The molecular formula of 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 2,3-dibromopropyl ester is C13H10Br2N2O4S.
What is the molecular weight of 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 2,3-dibromopropyl ester?
The molecular weight of 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 2,3-dibromopropyl ester is 447.87 g/mol.
Where can I buy 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 2,3-dibromopropyl ester?
You can request a quote for 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 2,3-dibromopropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 2,3-dibromopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 2,3-dibromopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.