(1,4-Dihydroxynaphthalen-2-yl) carbamimidothioate;4-methylbenzenesulfonic acid
TL;DR: (1,4-Dihydroxynaphthalen-2-yl) carbamimidothioate;4-methylbenzenesulfonic acid (CAS 7504-16-7) is a chemical compound with molecular formula C18H18N2O5S2 and molecular weight 406.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,4-dihydroxynaphthalen-2-yl) carbamimidothioate;4-methylbenzenesulfonic acid
Also Known As: (1,4-dihydroxynaphthalen-2-yl) carbamimidothioate,4-methylbe, (1,4-dihydroxynaphthalen-2-yl) carbamimidothioate; 4-methylbenzenesulfonic acid, (1,4-Dihydroxynaphthalen-2-yl) carbamimidothioate;4-methylbenzenesulfonic acid, 4-Methylbenzene-1-sulfonic acid--1,4-dihydroxynaphthalen-2-yl carbamimidothioate (1/1)
| Molecular Formula | C18H18N2O5S2 |
|---|---|
| Molecular Weight | 406.07 g/mol |
| LogP | 3.47829 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.0657 |
| Heavy Atoms | 27 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 7504-16-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C(=CC(=C2O)SC(=N)N)O |
| InChIKey | GWOJUJKVBFCCFO-UHFFFAOYSA-N |
Product Overview
(1,4-Dihydroxynaphthalen-2-yl) carbamimidothioate;4-methylbenzenesulfonic acid (CAS 7504-16-7), with molecular formula C18H18N2O5S2 and molecular weight 406.07 g/mol. IUPAC: (1,4-dihydroxynaphthalen-2-yl) carbamimidothioate;4-methylbenzenesulfonic acid.
Chemical Property Profile of (1,4-Dihydroxynaphthalen-2-yl) carbamimidothioate;4-methylbenzenesulfonic acid
Property Insights of (1,4-Dihydroxynaphthalen-2-yl) carbamimidothioate;4-methylbenzenesulfonic acid
The XLogP value of 3.47829 indicates that (1,4-Dihydroxynaphthalen-2-yl) carbamimidothioate;4-methylbenzenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 178.0 Ų indicates high polarity, suggesting (1,4-Dihydroxynaphthalen-2-yl) carbamimidothioate;4-methylbenzenesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (1,4-Dihydroxynaphthalen-2-yl) carbamimidothioate;4-methylbenzenesulfonic acid has 5 hydrogen bond donor(s) and 7 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 (1,4-Dihydroxynaphthalen-2-yl) carbamimidothioate;4-methylbenzenesulfonic acid?
The CAS number of (1,4-Dihydroxynaphthalen-2-yl) carbamimidothioate;4-methylbenzenesulfonic acid is 7504-16-7.
What is the molecular formula of (1,4-Dihydroxynaphthalen-2-yl) carbamimidothioate;4-methylbenzenesulfonic acid?
The molecular formula of (1,4-Dihydroxynaphthalen-2-yl) carbamimidothioate;4-methylbenzenesulfonic acid is C18H18N2O5S2.
What is the molecular weight of (1,4-Dihydroxynaphthalen-2-yl) carbamimidothioate;4-methylbenzenesulfonic acid?
The molecular weight of (1,4-Dihydroxynaphthalen-2-yl) carbamimidothioate;4-methylbenzenesulfonic acid is 406.07 g/mol.
Where can I buy (1,4-Dihydroxynaphthalen-2-yl) carbamimidothioate;4-methylbenzenesulfonic acid?
You can request a quote for (1,4-Dihydroxynaphthalen-2-yl) carbamimidothioate;4-methylbenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,4-Dihydroxynaphthalen-2-yl) carbamimidothioate;4-methylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for (1,4-Dihydroxynaphthalen-2-yl) carbamimidothioate;4-methylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.