2-苯乙基异氰酸酯
TL;DR: 2-苯乙基异氰酸酯 (CAS 1943-82-4) is a chemical compound with molecular formula C9H8F3NO2 and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-苯乙基异氰酸酯
(2S)-2-amino-2-[3-(trifluoromethyl)phenyl]acetic acid
Also Known As: 1-2 weeks, (S)-AMINO-(3-TRIFLUOROMETHYL-PHENYL)-ACETIC ACID, (2S)-2-amino-2-[3-(trifluoromethyl)phenyl]acetic acid, (S)-2-AMINO-2-(3-(TRIFLUOROMETHYL)PHENYL)ACETIC ACID, 2-(3-Trifluoromethylphenyl)glycine
| Molecular Formula | C9H8F3NO2 |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 1.7898 |
| Topological Polar Surface Area | 63.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.05072 |
| Heavy Atoms | 15 |
| Complexity | 375.86536 |
Chemical Identifiers
| CAS Number | 1943-82-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)[C@@H](C(=O)O)N |
Product Overview
2-苯乙基异氰酸酯 (CAS 1943-82-4), with molecular formula C9H8F3NO2 and molecular weight 219.05 g/mol. IUPAC: (2S)-2-amino-2-[3-(trifluoromethyl)phenyl]acetic acid.
Chemical Property Profile of 2-苯乙基异氰酸酯
Property Insights of 2-苯乙基异氰酸酯
The XLogP value of 1.7898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-苯乙基异氰酸酯. The TPSA of 63.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-苯乙基异氰酸酯. Following Lipinski's Rule of Five, 2-苯乙基异氰酸酯 has 2 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 2-苯乙基异氰酸酯?
The CAS number of 2-苯乙基异氰酸酯 is 1943-82-4.
What is the molecular formula of 2-苯乙基异氰酸酯?
The molecular formula of 2-苯乙基异氰酸酯 is C9H8F3NO2.
What is the molecular weight of 2-苯乙基异氰酸酯?
The molecular weight of 2-苯乙基异氰酸酯 is 219.05 g/mol.
Where can I buy 2-苯乙基异氰酸酯?
You can request a quote for 2-苯乙基异氰酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-苯乙基异氰酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-苯乙基异氰酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.