4-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1,5-naphthalenedisulfonic acid
TL;DR: 4-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1,5-naphthalenedisulfonic acid (CAS 6281-68-1) is a chemical compound with molecular formula C17H18N2O6S3 and molecular weight 442.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)naphthalene-1,5-disulfonic acid
Also Known As: USAF K-2602, 1-(4,4,6-trimethyl dihydropyrimidine, 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(4,8-disulfo-1-naphthyl)-4,4,6-trimethyl-, 1,5-Naphthalenedisulfonic acid, 4-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-, 1-(4,8-Disulfo-1-naphthyl)-2-thio-4,4,6-trimethyl dihydropyrimidine
| Molecular Formula | C17H18N2O6S3 |
|---|---|
| Molecular Weight | 442.03 g/mol |
| LogP | 2.7101 |
| Topological Polar Surface Area | 124.01 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.0327 |
| Heavy Atoms | 28 |
| Complexity | 1247.1348 |
Chemical Identifiers
| CAS Number | 6281-68-1 |
|---|---|
| SMILES | CC1=CC(NC(=S)N1C2=C3C(=C(C=C2)S(=O)(=O)O)C=CC=C3S(=O)(=O)O)(C)C |
Product Overview
4-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1,5-naphthalenedisulfonic acid (CAS 6281-68-1), with molecular formula C17H18N2O6S3 and molecular weight 442.03 g/mol. IUPAC: 4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)naphthalene-1,5-disulfonic acid.
Chemical Property Profile of 4-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1,5-naphthalenedisulfonic acid
Property Insights of 4-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1,5-naphthalenedisulfonic acid
The XLogP value of 2.7101 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1,5-naphthalenedisulfonic acid. The TPSA of 124.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1,5-naphthalenedisulfonic acid. Following Lipinski's Rule of Five, 4-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1,5-naphthalenedisulfonic 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 4-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1,5-naphthalenedisulfonic acid?
The CAS number of 4-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1,5-naphthalenedisulfonic acid is 6281-68-1.
What is the molecular formula of 4-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1,5-naphthalenedisulfonic acid?
The molecular formula of 4-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1,5-naphthalenedisulfonic acid is C17H18N2O6S3.
What is the molecular weight of 4-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1,5-naphthalenedisulfonic acid?
The molecular weight of 4-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1,5-naphthalenedisulfonic acid is 442.03 g/mol.
Where can I buy 4-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1,5-naphthalenedisulfonic acid?
You can request a quote for 4-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1,5-naphthalenedisulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1,5-naphthalenedisulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1,5-naphthalenedisulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.