FluoroBora I
TL;DR: FluoroBora I (CAS 75806-94-9) is a chemical compound with molecular formula C18H19BN2O4S and molecular weight 370.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid
Also Known As: 3-(Dansylamino)phenylboronic acid, FluoroBora I, Dns-BBA, 3- phenylboronicacid, 3-dansylaminophenylboronic acid
| Molecular Formula | C18H19BN2O4S |
|---|---|
| Molecular Weight | 370.12 g/mol |
| LogP | 1.3864 |
| Topological Polar Surface Area | 98.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.11584 |
| Heavy Atoms | 26 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 75806-94-9 |
|---|---|
| SMILES | B(C1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)(O)O |
| InChIKey | TYXMKSYBCDTGDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
FluoroBora I (CAS 75806-94-9), with molecular formula C18H19BN2O4S and molecular weight 370.12 g/mol. IUPAC: [3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid.
Chemical Property Profile of FluoroBora I
Property Insights of FluoroBora I
The XLogP value of 1.3864 suggests moderate lipophilicity, balancing water solubility and membrane permeability for FluoroBora I. The TPSA of 98.3 Ų falls within the moderate polarity range, balancing permeability and solubility for FluoroBora I. Following Lipinski's Rule of Five, FluoroBora I has 3 hydrogen bond donor(s) and 6 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 FluoroBora I?
The CAS number of FluoroBora I is 75806-94-9.
What is the molecular formula of FluoroBora I?
The molecular formula of FluoroBora I is C18H19BN2O4S.
What is the molecular weight of FluoroBora I?
The molecular weight of FluoroBora I is 370.12 g/mol.
Where can I buy FluoroBora I?
You can request a quote for FluoroBora I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for FluoroBora I?
Yes, KEHONG BIO provides custom synthesis services for FluoroBora I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.