3-(4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)phenyl)alanine
TL;DR: 3-(4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)phenyl)alanine (CAS 95758-95-5) is a chemical compound with molecular formula C11H10F3N3O2 and molecular weight 273.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-amino-3-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propanoic acid
Also Known As: Tfmdazpa, (Tmd)phe, tmdPHE, 3-(4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)phenyl)alanine, (2R)-2-amino-3-{4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl}propanoic acid
| Molecular Formula | C11H10F3N3O2 |
|---|---|
| Molecular Weight | 273.07 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.0725 |
| Heavy Atoms | 19 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 95758-95-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C[C@H](C(=O)O)N)C2(N=N2)C(F)(F)F |
| InChIKey | HRGXDARRSCSGOG-MRVPVSSYSA-N |
Product Overview
3-(4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)phenyl)alanine (CAS 95758-95-5), with molecular formula C11H10F3N3O2 and molecular weight 273.07 g/mol. IUPAC: (2R)-2-amino-3-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propanoic acid.
Chemical Property Profile of 3-(4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)phenyl)alanine
Property Insights of 3-(4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)phenyl)alanine
The XLogP value of -0.4 indicates that 3-(4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)phenyl)alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)phenyl)alanine. Following Lipinski's Rule of Five, 3-(4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)phenyl)alanine has 2 hydrogen bond donor(s) and 8 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 3-(4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)phenyl)alanine?
The CAS number of 3-(4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)phenyl)alanine is 95758-95-5.
What is the molecular formula of 3-(4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)phenyl)alanine?
The molecular formula of 3-(4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)phenyl)alanine is C11H10F3N3O2.
What is the molecular weight of 3-(4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)phenyl)alanine?
The molecular weight of 3-(4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)phenyl)alanine is 273.07 g/mol.
Where can I buy 3-(4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)phenyl)alanine?
You can request a quote for 3-(4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)phenyl)alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)phenyl)alanine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)phenyl)alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.