(S)-(-)-1-Phenylethyl isocyanate
TL;DR: (S)-(-)-1-Phenylethyl isocyanate (CAS 14649-03-7) is a chemical compound with molecular formula C9H9NO and molecular weight 147.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S)-1-isocyanatoethyl]benzene
Also Known As: (S)-(-)-1-Phenylethyl isocyanate, [(1S)-1-isocyanatoethyl]benzene, (S)-(-)-alpha-Methylbenzyl isocyanate, (S)-(-)-1-Phenylethylisocyanate, Benzene, [(1S)-1-isocyanatoethyl]-
| Molecular Formula | C9H9NO |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 2.0834 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 147.06842 |
| Heavy Atoms | 11 |
| Complexity | 262.15103 |
Chemical Identifiers
| CAS Number | 14649-03-7 |
|---|---|
| SMILES | C[C@@H](C1=CC=CC=C1)N=C=O |
Product Overview
(S)-(-)-1-Phenylethyl isocyanate (CAS 14649-03-7), with molecular formula C9H9NO and molecular weight 147.07 g/mol. IUPAC: [(1S)-1-isocyanatoethyl]benzene.
Chemical Property Profile of (S)-(-)-1-Phenylethyl isocyanate
Property Insights of (S)-(-)-1-Phenylethyl isocyanate
The XLogP value of 2.0834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-(-)-1-Phenylethyl isocyanate. With a topological polar surface area (TPSA) of 29.43 Ų, (S)-(-)-1-Phenylethyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-(-)-1-Phenylethyl isocyanate has 0 hydrogen bond donor(s) and 2 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-Phenylethyl isocyanate?
The CAS number of (S)-(-)-1-Phenylethyl isocyanate is 14649-03-7.
What is the molecular formula of (S)-(-)-1-Phenylethyl isocyanate?
The molecular formula of (S)-(-)-1-Phenylethyl isocyanate is C9H9NO.
What is the molecular weight of (S)-(-)-1-Phenylethyl isocyanate?
The molecular weight of (S)-(-)-1-Phenylethyl isocyanate is 147.07 g/mol.
Where can I buy (S)-(-)-1-Phenylethyl isocyanate?
You can request a quote for (S)-(-)-1-Phenylethyl 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-Phenylethyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for (S)-(-)-1-Phenylethyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.