3-Isothiocyanato-4-methoxy-1,1'-biphenyl
TL;DR: 3-Isothiocyanato-4-methoxy-1,1'-biphenyl (CAS 206761-68-4) is a chemical compound with molecular formula C14H11NOS and molecular weight 241.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isothiocyanato-1-methoxy-4-phenylbenzene
Also Known As: (2-Methoxy-5-phenyl)phenyl isothiocyanate, Phenylisothiocyanate, 2-Methoxybiphenyl 3-isothiocyanate, 2-isothiocyanato-1-methoxy-4-phenylbenzene, 2-Bromo-2-chlorophenylaceticacid
| Molecular Formula | C14H11NOS |
|---|---|
| Molecular Weight | 241.06 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 53.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.05614 |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 206761-68-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=CC=CC=C2)N=C=S |
| InChIKey | TZRMLJYZKZTEFW-UHFFFAOYSA-N |
Product Overview
3-Isothiocyanato-4-methoxy-1,1'-biphenyl (CAS 206761-68-4), with molecular formula C14H11NOS and molecular weight 241.06 g/mol. IUPAC: 2-isothiocyanato-1-methoxy-4-phenylbenzene.
Chemical Property Profile of 3-Isothiocyanato-4-methoxy-1,1'-biphenyl
Property Insights of 3-Isothiocyanato-4-methoxy-1,1'-biphenyl
The XLogP value of 4.9 indicates that 3-Isothiocyanato-4-methoxy-1,1'-biphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.7 Ų, 3-Isothiocyanato-4-methoxy-1,1'-biphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isothiocyanato-4-methoxy-1,1'-biphenyl has 0 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 3-Isothiocyanato-4-methoxy-1,1'-biphenyl?
The CAS number of 3-Isothiocyanato-4-methoxy-1,1'-biphenyl is 206761-68-4.
What is the molecular formula of 3-Isothiocyanato-4-methoxy-1,1'-biphenyl?
The molecular formula of 3-Isothiocyanato-4-methoxy-1,1'-biphenyl is C14H11NOS.
What is the molecular weight of 3-Isothiocyanato-4-methoxy-1,1'-biphenyl?
The molecular weight of 3-Isothiocyanato-4-methoxy-1,1'-biphenyl is 241.06 g/mol.
Where can I buy 3-Isothiocyanato-4-methoxy-1,1'-biphenyl?
You can request a quote for 3-Isothiocyanato-4-methoxy-1,1'-biphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isothiocyanato-4-methoxy-1,1'-biphenyl?
Yes, KEHONG BIO provides custom synthesis services for 3-Isothiocyanato-4-methoxy-1,1'-biphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.