4-Benzyloxyphenyl isothiocyanate
TL;DR: 4-Benzyloxyphenyl isothiocyanate (CAS 139768-71-1) 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.
1-isothiocyanato-4-phenylmethoxybenzene
Also Known As: 4-Benzyloxyphenyl isothiocyanate, 1-(benzyloxy)-4-isothiocyanatobenzene, 4-BENZYLOXYPHENylisoTHIOCYANATE, 1-isothiocyanato-4-phenylmethoxybenzene, Benzene, 1-isothiocyanato-4-(phenylmethoxy)-
| Molecular Formula | C14H11NOS |
|---|---|
| Molecular Weight | 241.06 g/mol |
| LogP | 3.9999 |
| Topological Polar Surface Area | 21.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.05614 |
| Heavy Atoms | 17 |
| Complexity | 515.6783 |
Chemical Identifiers
| CAS Number | 139768-71-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)N=C=S |
Product Overview
4-Benzyloxyphenyl isothiocyanate (CAS 139768-71-1), with molecular formula C14H11NOS and molecular weight 241.06 g/mol. IUPAC: 1-isothiocyanato-4-phenylmethoxybenzene.
Chemical Property Profile of 4-Benzyloxyphenyl isothiocyanate
Property Insights of 4-Benzyloxyphenyl isothiocyanate
The XLogP value of 3.9999 indicates that 4-Benzyloxyphenyl isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.59 Ų, 4-Benzyloxyphenyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzyloxyphenyl isothiocyanate 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 4-Benzyloxyphenyl isothiocyanate?
The CAS number of 4-Benzyloxyphenyl isothiocyanate is 139768-71-1.
What is the molecular formula of 4-Benzyloxyphenyl isothiocyanate?
The molecular formula of 4-Benzyloxyphenyl isothiocyanate is C14H11NOS.
What is the molecular weight of 4-Benzyloxyphenyl isothiocyanate?
The molecular weight of 4-Benzyloxyphenyl isothiocyanate is 241.06 g/mol.
Where can I buy 4-Benzyloxyphenyl isothiocyanate?
You can request a quote for 4-Benzyloxyphenyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyloxyphenyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyloxyphenyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.