2-Naphthalenesulfonic acid, 5-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-
TL;DR: 2-Naphthalenesulfonic acid, 5-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)- (CAS 6281-67-0) is a chemical compound with molecular formula C17H18N2O3S2 and molecular weight 362.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)naphthalene-2-sulfonic acid
Also Known As: USAF K-1565, 5- -2-naphthalenesulfonicacid, 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(6-sulfo-1-naphthyl)-4,4,6-trimethyl-, 1-(6-Sulfo-1-naphthyl)-2-thio-4,4,6-trimethyl dihydropyrimidine, 2-Naphthalenesulfonic acid, 5-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-
| Molecular Formula | C17H18N2O3S2 |
|---|---|
| Molecular Weight | 362.08 g/mol |
| LogP | 3.4634 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.0759 |
| Heavy Atoms | 24 |
| Complexity | 978.4933 |
Chemical Identifiers
| CAS Number | 6281-67-0 |
|---|---|
| SMILES | CC1=CC(NC(=S)N1C2=CC=CC3=C2C=CC(=C3)S(=O)(=O)O)(C)C |
Product Overview
2-Naphthalenesulfonic acid, 5-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)- (CAS 6281-67-0), with molecular formula C17H18N2O3S2 and molecular weight 362.08 g/mol. IUPAC: 5-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)naphthalene-2-sulfonic acid.
Chemical Property Profile of 2-Naphthalenesulfonic acid, 5-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-
Property Insights of 2-Naphthalenesulfonic acid, 5-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-
The XLogP value of 3.4634 indicates that 2-Naphthalenesulfonic acid, 5-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Naphthalenesulfonic acid, 5-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-. Following Lipinski's Rule of Five, 2-Naphthalenesulfonic acid, 5-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)- has 2 hydrogen bond donor(s) and 3 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 2-Naphthalenesulfonic acid, 5-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-?
The CAS number of 2-Naphthalenesulfonic acid, 5-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)- is 6281-67-0.
What is the molecular formula of 2-Naphthalenesulfonic acid, 5-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-?
The molecular formula of 2-Naphthalenesulfonic acid, 5-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)- is C17H18N2O3S2.
What is the molecular weight of 2-Naphthalenesulfonic acid, 5-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-?
The molecular weight of 2-Naphthalenesulfonic acid, 5-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)- is 362.08 g/mol.
Where can I buy 2-Naphthalenesulfonic acid, 5-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-?
You can request a quote for 2-Naphthalenesulfonic acid, 5-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Naphthalenesulfonic acid, 5-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Naphthalenesulfonic acid, 5-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.