5-Isothiocyanato-1,10-phenanthroline
TL;DR: 5-Isothiocyanato-1,10-phenanthroline (CAS 75618-99-4) is a chemical compound with molecular formula C13H7N3S and molecular weight 237.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-isothiocyanato-1,10-phenanthroline
Also Known As: 5-isothiocyanato-1,10-phenanthroline, 1,10-Phenanthroline,5-isothiocyanato-, METHYL-3-(4-PYRIDYL)PROPANOATE, 1,10-Phenanthroline-5-yl isothiocyanate, J1.962.477C
| Molecular Formula | C13H7N3S |
|---|---|
| Molecular Weight | 237.04 g/mol |
| LogP | 3.5173 |
| Topological Polar Surface Area | 38.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.03607 |
| Heavy Atoms | 17 |
| Complexity | 760.80286 |
Chemical Identifiers
| CAS Number | 75618-99-4 |
|---|---|
| SMILES | C1=CC2=CC(=C3C=CC=NC3=C2N=C1)N=C=S |
Product Overview
5-Isothiocyanato-1,10-phenanthroline (CAS 75618-99-4), with molecular formula C13H7N3S and molecular weight 237.04 g/mol. IUPAC: 5-isothiocyanato-1,10-phenanthroline.
Chemical Property Profile of 5-Isothiocyanato-1,10-phenanthroline
Property Insights of 5-Isothiocyanato-1,10-phenanthroline
The XLogP value of 3.5173 indicates that 5-Isothiocyanato-1,10-phenanthroline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.14 Ų, 5-Isothiocyanato-1,10-phenanthroline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isothiocyanato-1,10-phenanthroline has 0 hydrogen bond donor(s) and 4 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-Isothiocyanato-1,10-phenanthroline?
The CAS number of 5-Isothiocyanato-1,10-phenanthroline is 75618-99-4.
What is the molecular formula of 5-Isothiocyanato-1,10-phenanthroline?
The molecular formula of 5-Isothiocyanato-1,10-phenanthroline is C13H7N3S.
What is the molecular weight of 5-Isothiocyanato-1,10-phenanthroline?
The molecular weight of 5-Isothiocyanato-1,10-phenanthroline is 237.04 g/mol.
Where can I buy 5-Isothiocyanato-1,10-phenanthroline?
You can request a quote for 5-Isothiocyanato-1,10-phenanthroline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isothiocyanato-1,10-phenanthroline?
Yes, KEHONG BIO provides custom synthesis services for 5-Isothiocyanato-1,10-phenanthroline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.