(3R)-3-(4-Trifluoromethyl-phenylamino)-pentanenitrile
TL;DR: (3R)-3-(4-Trifluoromethyl-phenylamino)-pentanenitrile (CAS 474645-91-5) is a chemical compound with molecular formula C12H13F3N2 and molecular weight 242.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-3-[4-(trifluoromethyl)anilino]pentanenitrile
Also Known As: (3R)-3-(4-Trifluoromethyl-phenylamino)-pentanenitrile, (3R)-3-[4-(trifluoromethyl)anilino]pentanenitrile, (3R)-3-[[4-(trifluoromethyl)phenyl]amino]pentanenitrile, PENTANENITRILE,3-[[4-(TRIFLUOROMETHYL)PHENYL]AMINO]-,(3R), PENTANENITRILE, 3-[[4-(TRIFLUOROMETHYL)PHENYL]AMINO]-, (3R)-
| Molecular Formula | C12H13F3N2 |
|---|---|
| Molecular Weight | 242.10 g/mol |
| LogP | 3.80958 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.10309 |
| Heavy Atoms | 17 |
| Complexity | 389.69714 |
Chemical Identifiers
| CAS Number | 474645-91-5 |
|---|---|
| SMILES | CC[C@H](CC#N)NC1=CC=C(C=C1)C(F)(F)F |
Product Overview
(3R)-3-(4-Trifluoromethyl-phenylamino)-pentanenitrile (CAS 474645-91-5), with molecular formula C12H13F3N2 and molecular weight 242.10 g/mol. IUPAC: (3R)-3-[4-(trifluoromethyl)anilino]pentanenitrile.
Chemical Property Profile of (3R)-3-(4-Trifluoromethyl-phenylamino)-pentanenitrile
Property Insights of (3R)-3-(4-Trifluoromethyl-phenylamino)-pentanenitrile
The XLogP value of 3.80958 indicates that (3R)-3-(4-Trifluoromethyl-phenylamino)-pentanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.82 Ų, (3R)-3-(4-Trifluoromethyl-phenylamino)-pentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3R)-3-(4-Trifluoromethyl-phenylamino)-pentanenitrile has 1 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 (3R)-3-(4-Trifluoromethyl-phenylamino)-pentanenitrile?
The CAS number of (3R)-3-(4-Trifluoromethyl-phenylamino)-pentanenitrile is 474645-91-5.
What is the molecular formula of (3R)-3-(4-Trifluoromethyl-phenylamino)-pentanenitrile?
The molecular formula of (3R)-3-(4-Trifluoromethyl-phenylamino)-pentanenitrile is C12H13F3N2.
What is the molecular weight of (3R)-3-(4-Trifluoromethyl-phenylamino)-pentanenitrile?
The molecular weight of (3R)-3-(4-Trifluoromethyl-phenylamino)-pentanenitrile is 242.10 g/mol.
Where can I buy (3R)-3-(4-Trifluoromethyl-phenylamino)-pentanenitrile?
You can request a quote for (3R)-3-(4-Trifluoromethyl-phenylamino)-pentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3R)-3-(4-Trifluoromethyl-phenylamino)-pentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (3R)-3-(4-Trifluoromethyl-phenylamino)-pentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.