(S)-(-)-1-(3-Methoxyphenyl)ethyl isocyanate
TL;DR: (S)-(-)-1-(3-Methoxyphenyl)ethyl isocyanate (CAS 745784-08-1) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene
Also Known As: (S)-(-)-1-(3-METHOXYPHENYL)ETHYL ISOCYANATE, 1-[(1S)-1-ISOCYANATOETHYL]-3-METHOXYBENZENE, (S)-1-(1-Isocyanatoethyl)-3-methoxybenzene, Benzene,1-[ -1-isocyanatoethyl]-3-methoxy-, 1-[(1S)-1-isocyanatoethyl]-3-methoxy-benzene
| Molecular Formula | C10H11NO2 |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | 2.092 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.07898 |
| Heavy Atoms | 13 |
| Complexity | 329.45157 |
Chemical Identifiers
| CAS Number | 745784-08-1 |
|---|---|
| SMILES | C[C@@H](C1=CC(=CC=C1)OC)N=C=O |
Product Overview
(S)-(-)-1-(3-Methoxyphenyl)ethyl isocyanate (CAS 745784-08-1), with molecular formula C10H11NO2 and molecular weight 177.08 g/mol. IUPAC: 1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene.
Chemical Property Profile of (S)-(-)-1-(3-Methoxyphenyl)ethyl isocyanate
Property Insights of (S)-(-)-1-(3-Methoxyphenyl)ethyl isocyanate
The XLogP value of 2.092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-(-)-1-(3-Methoxyphenyl)ethyl isocyanate. With a topological polar surface area (TPSA) of 38.66 Ų, (S)-(-)-1-(3-Methoxyphenyl)ethyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-(-)-1-(3-Methoxyphenyl)ethyl isocyanate 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 (S)-(-)-1-(3-Methoxyphenyl)ethyl isocyanate?
The CAS number of (S)-(-)-1-(3-Methoxyphenyl)ethyl isocyanate is 745784-08-1.
What is the molecular formula of (S)-(-)-1-(3-Methoxyphenyl)ethyl isocyanate?
The molecular formula of (S)-(-)-1-(3-Methoxyphenyl)ethyl isocyanate is C10H11NO2.
What is the molecular weight of (S)-(-)-1-(3-Methoxyphenyl)ethyl isocyanate?
The molecular weight of (S)-(-)-1-(3-Methoxyphenyl)ethyl isocyanate is 177.08 g/mol.
Where can I buy (S)-(-)-1-(3-Methoxyphenyl)ethyl isocyanate?
You can request a quote for (S)-(-)-1-(3-Methoxyphenyl)ethyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-(-)-1-(3-Methoxyphenyl)ethyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for (S)-(-)-1-(3-Methoxyphenyl)ethyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.