(R)-(-)-1-(3-Methoxyphenyl)ethyl isothiocyanate
TL;DR: (R)-(-)-1-(3-Methoxyphenyl)ethyl isothiocyanate (CAS 749261-39-0) is a chemical compound with molecular formula C10H11NOS and molecular weight 193.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1R)-1-isothiocyanatoethyl]-3-methoxybenzene
Also Known As: (R)-(-)-1-(3-Methoxyphenyl)ethyl isothiocyanate, 1-[(1R)-1-ISOTHIOCYANATOETHYL]-3-METHOXYBENZENE, Benzene, 1-[(1R)-1-isothiocyanatoethyl]-3-methoxy- (9CI), (1R)-1-(3-methoxyphenyl)ethanisothiocyanate, 1-((r)-1-isothiocyanatoethyl)-3-methoxybenzene
| Molecular Formula | C10H11NOS |
|---|---|
| Molecular Weight | 193.06 g/mol |
| LogP | 2.859 |
| Topological Polar Surface Area | 21.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.05614 |
| Heavy Atoms | 13 |
| Complexity | 331.45157 |
Chemical Identifiers
| CAS Number | 749261-39-0 |
|---|---|
| SMILES | C[C@H](C1=CC(=CC=C1)OC)N=C=S |
Product Overview
(R)-(-)-1-(3-Methoxyphenyl)ethyl isothiocyanate (CAS 749261-39-0), with molecular formula C10H11NOS and molecular weight 193.06 g/mol. IUPAC: 1-[(1R)-1-isothiocyanatoethyl]-3-methoxybenzene.
Chemical Property Profile of (R)-(-)-1-(3-Methoxyphenyl)ethyl isothiocyanate
Property Insights of (R)-(-)-1-(3-Methoxyphenyl)ethyl isothiocyanate
The XLogP value of 2.859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (R)-(-)-1-(3-Methoxyphenyl)ethyl isothiocyanate. With a topological polar surface area (TPSA) of 21.59 Ų, (R)-(-)-1-(3-Methoxyphenyl)ethyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (R)-(-)-1-(3-Methoxyphenyl)ethyl 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 (R)-(-)-1-(3-Methoxyphenyl)ethyl isothiocyanate?
The CAS number of (R)-(-)-1-(3-Methoxyphenyl)ethyl isothiocyanate is 749261-39-0.
What is the molecular formula of (R)-(-)-1-(3-Methoxyphenyl)ethyl isothiocyanate?
The molecular formula of (R)-(-)-1-(3-Methoxyphenyl)ethyl isothiocyanate is C10H11NOS.
What is the molecular weight of (R)-(-)-1-(3-Methoxyphenyl)ethyl isothiocyanate?
The molecular weight of (R)-(-)-1-(3-Methoxyphenyl)ethyl isothiocyanate is 193.06 g/mol.
Where can I buy (R)-(-)-1-(3-Methoxyphenyl)ethyl isothiocyanate?
You can request a quote for (R)-(-)-1-(3-Methoxyphenyl)ethyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (R)-(-)-1-(3-Methoxyphenyl)ethyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for (R)-(-)-1-(3-Methoxyphenyl)ethyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.