1,3-Dinitro-4-(phenylthio)naphthalene
TL;DR: 1,3-Dinitro-4-(phenylthio)naphthalene (CAS 14723-61-6) is a chemical compound with molecular formula C16H10N2O4S and molecular weight 326.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dinitro-1-phenylsulfanylnaphthalene
Also Known As: 2,4-dinitro-1-phenylsulfanylnaphthalene, 1,3-DINITRO-4-(PHENYLTHIO)NAPHTHALENE, 2,4-DINITRO-1-(PHENYLSULFANYL)NAPHTHALENE, NAPHTHALENE,2,4-DINITRO-1-(PHENYLTHIO)-, 668-004-0
| Molecular Formula | C16H10N2O4S |
|---|---|
| Molecular Weight | 326.04 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.03613 |
| Heavy Atoms | 23 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 14723-61-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=C(C=C(C3=CC=CC=C32)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | PWDBUOFAVPIYFL-UHFFFAOYSA-N |
Product Overview
1,3-Dinitro-4-(phenylthio)naphthalene (CAS 14723-61-6), with molecular formula C16H10N2O4S and molecular weight 326.04 g/mol. IUPAC: 2,4-dinitro-1-phenylsulfanylnaphthalene.
Chemical Property Profile of 1,3-Dinitro-4-(phenylthio)naphthalene
Property Insights of 1,3-Dinitro-4-(phenylthio)naphthalene
The XLogP value of 4.9 indicates that 1,3-Dinitro-4-(phenylthio)naphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dinitro-4-(phenylthio)naphthalene. Following Lipinski's Rule of Five, 1,3-Dinitro-4-(phenylthio)naphthalene has 0 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 1,3-Dinitro-4-(phenylthio)naphthalene?
The CAS number of 1,3-Dinitro-4-(phenylthio)naphthalene is 14723-61-6.
What is the molecular formula of 1,3-Dinitro-4-(phenylthio)naphthalene?
The molecular formula of 1,3-Dinitro-4-(phenylthio)naphthalene is C16H10N2O4S.
What is the molecular weight of 1,3-Dinitro-4-(phenylthio)naphthalene?
The molecular weight of 1,3-Dinitro-4-(phenylthio)naphthalene is 326.04 g/mol.
Where can I buy 1,3-Dinitro-4-(phenylthio)naphthalene?
You can request a quote for 1,3-Dinitro-4-(phenylthio)naphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dinitro-4-(phenylthio)naphthalene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dinitro-4-(phenylthio)naphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.