trans-2-Phenylcyclopropyl isocyanate
TL;DR: trans-2-Phenylcyclopropyl isocyanate (CAS 762286-33-9) is a chemical compound with molecular formula C10H9NO and molecular weight 159.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R)-2-isocyanatocyclopropyl]benzene
Also Known As: trans-2-Phenylcyclopropyl isocyanate, null, [(1s,2r)-2-isocyanatocyclopropyl]benzene, Trans-2-phenylcyclopropylisocyanate, EINECS 252-320-7
| Molecular Formula | C10H9NO |
|---|---|
| Molecular Weight | 159.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.06842 |
| Heavy Atoms | 12 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 762286-33-9 |
|---|---|
| SMILES | C1[C@H]([C@@H]1N=C=O)C2=CC=CC=C2 |
| InChIKey | DYUXVJAFBUZREW-VHSXEESVSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
trans-2-Phenylcyclopropyl isocyanate (CAS 762286-33-9), with molecular formula C10H9NO and molecular weight 159.07 g/mol. IUPAC: [(1S,2R)-2-isocyanatocyclopropyl]benzene.
Chemical Property Profile of trans-2-Phenylcyclopropyl isocyanate
Property Insights of trans-2-Phenylcyclopropyl isocyanate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-2-Phenylcyclopropyl isocyanate. With a topological polar surface area (TPSA) of 29.4 Ų, trans-2-Phenylcyclopropyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-2-Phenylcyclopropyl 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 trans-2-Phenylcyclopropyl isocyanate?
The CAS number of trans-2-Phenylcyclopropyl isocyanate is 762286-33-9.
What is the molecular formula of trans-2-Phenylcyclopropyl isocyanate?
The molecular formula of trans-2-Phenylcyclopropyl isocyanate is C10H9NO.
What is the molecular weight of trans-2-Phenylcyclopropyl isocyanate?
The molecular weight of trans-2-Phenylcyclopropyl isocyanate is 159.07 g/mol.
Where can I buy trans-2-Phenylcyclopropyl isocyanate?
You can request a quote for trans-2-Phenylcyclopropyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-2-Phenylcyclopropyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for trans-2-Phenylcyclopropyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.