3-(5-Dimethylamino-6-iodo-1-naphthalenesulfonamido)phenylboronic acid
TL;DR: 3-(5-Dimethylamino-6-iodo-1-naphthalenesulfonamido)phenylboronic acid (CAS 147353-58-0) is a chemical compound with molecular formula C18H18BIN2O4S and molecular weight 496.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[[5-(dimethylamino)-6-iodonaphthalen-1-yl]sulfonylamino]phenyl]boronic acid
Also Known As: 3- phenylboronicacid, 3-Dmainsn-phenylboronic acid, starbld0019317, 3-(5-Dimethylamino-6-iodo-1-naphthalenesulfonamido)phenylboronic acid, (3-(5-(Dimethylamino)-6-iodonaphthalene-1-sulfonamido)phenyl)boronic acid
| Molecular Formula | C18H18BIN2O4S |
|---|---|
| Molecular Weight | 496.01 g/mol |
| LogP | 1.991 |
| Topological Polar Surface Area | 89.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.0125 |
| Heavy Atoms | 27 |
| Complexity | 1103.712 |
Chemical Identifiers
| CAS Number | 147353-58-0 |
|---|---|
| SMILES | B(C1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC3=C2C=CC(=C3N(C)C)I)(O)O |
Product Overview
3-(5-Dimethylamino-6-iodo-1-naphthalenesulfonamido)phenylboronic acid (CAS 147353-58-0), with molecular formula C18H18BIN2O4S and molecular weight 496.01 g/mol. IUPAC: [3-[[5-(dimethylamino)-6-iodonaphthalen-1-yl]sulfonylamino]phenyl]boronic acid.
Chemical Property Profile of 3-(5-Dimethylamino-6-iodo-1-naphthalenesulfonamido)phenylboronic acid
Property Insights of 3-(5-Dimethylamino-6-iodo-1-naphthalenesulfonamido)phenylboronic acid
The XLogP value of 1.991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Dimethylamino-6-iodo-1-naphthalenesulfonamido)phenylboronic acid. The TPSA of 89.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Dimethylamino-6-iodo-1-naphthalenesulfonamido)phenylboronic acid. Following Lipinski's Rule of Five, 3-(5-Dimethylamino-6-iodo-1-naphthalenesulfonamido)phenylboronic acid has 3 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 3-(5-Dimethylamino-6-iodo-1-naphthalenesulfonamido)phenylboronic acid?
The CAS number of 3-(5-Dimethylamino-6-iodo-1-naphthalenesulfonamido)phenylboronic acid is 147353-58-0.
What is the molecular formula of 3-(5-Dimethylamino-6-iodo-1-naphthalenesulfonamido)phenylboronic acid?
The molecular formula of 3-(5-Dimethylamino-6-iodo-1-naphthalenesulfonamido)phenylboronic acid is C18H18BIN2O4S.
What is the molecular weight of 3-(5-Dimethylamino-6-iodo-1-naphthalenesulfonamido)phenylboronic acid?
The molecular weight of 3-(5-Dimethylamino-6-iodo-1-naphthalenesulfonamido)phenylboronic acid is 496.01 g/mol.
Where can I buy 3-(5-Dimethylamino-6-iodo-1-naphthalenesulfonamido)phenylboronic acid?
You can request a quote for 3-(5-Dimethylamino-6-iodo-1-naphthalenesulfonamido)phenylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-Dimethylamino-6-iodo-1-naphthalenesulfonamido)phenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Dimethylamino-6-iodo-1-naphthalenesulfonamido)phenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.