Dipans
TL;DR: Dipans (CAS 66731-46-2) is a chemical compound with molecular formula C17H17NO11P2S and molecular weight 505.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,4-diphosphonooxyphenyl)methylamino]naphthalene-1-sulfonic acid
Also Known As: Dipans, N-(2,4-Diphosphobenzyl)-1-amino-5-naphthalenesulfonic acid, 5-[(2,4-diphosphonooxyphenyl)methylamino]naphthalene-1-sulfonic acid, 5-{[2,4-bis(phosphonooxy)benzyl]amino}naphthalene-1-sulfonic acid, 1-Naphthalenesulfonic acid, 5-(((2,4-bis(phosphonooxy)phenyl)methyl)amino)-, (3R-(3alpha,4abeta,5beta,6beta,6aalpha,10alpha,10abeta,10balpha))-
| Molecular Formula | C17H17NO11P2S |
|---|---|
| Molecular Weight | 505.00 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 504.99976 |
| Heavy Atoms | 32 |
| Complexity | 838.0 |
Chemical Identifiers
| CAS Number | 66731-46-2 |
|---|---|
| SMILES | C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NCC3=C(C=C(C=C3)OP(=O)(O)O)OP(=O)(O)O |
| InChIKey | UFSQFZYUGSALND-UHFFFAOYSA-N |
Product Overview
Dipans (CAS 66731-46-2), with molecular formula C17H17NO11P2S and molecular weight 505.00 g/mol. IUPAC: 5-[(2,4-diphosphonooxyphenyl)methylamino]naphthalene-1-sulfonic acid.
Chemical Property Profile of Dipans
Property Insights of Dipans
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dipans. The TPSA of 208.0 Ų indicates high polarity, suggesting Dipans may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dipans has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dipans?
The CAS number of Dipans is 66731-46-2.
What is the molecular formula of Dipans?
The molecular formula of Dipans is C17H17NO11P2S.
What is the molecular weight of Dipans?
The molecular weight of Dipans is 505.00 g/mol.
Where can I buy Dipans?
You can request a quote for Dipans directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dipans?
Yes, KEHONG BIO provides custom synthesis services for Dipans and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.