5-(4,4,6-Trimethyl-2-sulfanylpyrimidin-1(4H)-yl)naphthalene-1,3-disulfonic acid
TL;DR: 5-(4,4,6-Trimethyl-2-sulfanylpyrimidin-1(4H)-yl)naphthalene-1,3-disulfonic acid (CAS 63704-46-1) 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.
5-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)naphthalene-1,3-disulfonic acid
Also Known As: USAF K-1566, 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(2-(6,8-disulfonaphthyl))-4,4,6-trimethyl-, 1-(2-(6,8-Disulfonaphthyl))-2-thio-4,4,6-trimethyl dihydropyrimidine, 5-(4,4,6-Trimethyl-2-sulfanylpyrimidin-1(4H)-yl)naphthalene-1,3-disulfonic acid, 5-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)naphthalene-1,3-disulfonic acid
| 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 | 63704-46-1 |
|---|---|
| SMILES | CC1=CC(NC(=S)N1C2=CC=CC3=C2C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)(C)C |
Product Overview
5-(4,4,6-Trimethyl-2-sulfanylpyrimidin-1(4H)-yl)naphthalene-1,3-disulfonic acid (CAS 63704-46-1), with molecular formula C17H18N2O6S3 and molecular weight 442.03 g/mol. IUPAC: 5-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)naphthalene-1,3-disulfonic acid.
Chemical Property Profile of 5-(4,4,6-Trimethyl-2-sulfanylpyrimidin-1(4H)-yl)naphthalene-1,3-disulfonic acid
Property Insights of 5-(4,4,6-Trimethyl-2-sulfanylpyrimidin-1(4H)-yl)naphthalene-1,3-disulfonic acid
The XLogP value of 2.7101 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4,4,6-Trimethyl-2-sulfanylpyrimidin-1(4H)-yl)naphthalene-1,3-disulfonic acid. The TPSA of 124.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4,4,6-Trimethyl-2-sulfanylpyrimidin-1(4H)-yl)naphthalene-1,3-disulfonic acid. Following Lipinski's Rule of Five, 5-(4,4,6-Trimethyl-2-sulfanylpyrimidin-1(4H)-yl)naphthalene-1,3-disulfonic 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 5-(4,4,6-Trimethyl-2-sulfanylpyrimidin-1(4H)-yl)naphthalene-1,3-disulfonic acid?
The CAS number of 5-(4,4,6-Trimethyl-2-sulfanylpyrimidin-1(4H)-yl)naphthalene-1,3-disulfonic acid is 63704-46-1.
What is the molecular formula of 5-(4,4,6-Trimethyl-2-sulfanylpyrimidin-1(4H)-yl)naphthalene-1,3-disulfonic acid?
The molecular formula of 5-(4,4,6-Trimethyl-2-sulfanylpyrimidin-1(4H)-yl)naphthalene-1,3-disulfonic acid is C17H18N2O6S3.
What is the molecular weight of 5-(4,4,6-Trimethyl-2-sulfanylpyrimidin-1(4H)-yl)naphthalene-1,3-disulfonic acid?
The molecular weight of 5-(4,4,6-Trimethyl-2-sulfanylpyrimidin-1(4H)-yl)naphthalene-1,3-disulfonic acid is 442.03 g/mol.
Where can I buy 5-(4,4,6-Trimethyl-2-sulfanylpyrimidin-1(4H)-yl)naphthalene-1,3-disulfonic acid?
You can request a quote for 5-(4,4,6-Trimethyl-2-sulfanylpyrimidin-1(4H)-yl)naphthalene-1,3-disulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4,4,6-Trimethyl-2-sulfanylpyrimidin-1(4H)-yl)naphthalene-1,3-disulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4,4,6-Trimethyl-2-sulfanylpyrimidin-1(4H)-yl)naphthalene-1,3-disulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.