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CAS 70338-47-5 Benzenamine, 4-(phenylmethoxy)-3-(trifluoromethyl)- molecular structure lightbox
CAS RN: 70338-47-5

Benzenamine, 4-(phenylmethoxy)-3-(trifluoromethyl)-

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260317 100mg In stock Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260120 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250217 1g Out of stock Inquiry
Batchno.20250210 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS70338-47-5
  • Purity/Analytical Methods: >99.0%
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70338-47-5 / 4-phenylmethoxy-3-(trifluoromethyl)aniline

Standard CAS: 70338-47-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
70338-47-5
Multi CAS
No
Molecular Formula
C14F3H12NO
Molecular Weight
267.250000
Exact Mass
267.087098
InChI
InChI=1S/C14H12F3NO/c15-14(16,17)12-8-11(18)6-7-13(12)19-9-10-4-2-1-3-5-10/h1-8H,9,18H2
InChIKey
UULCQZNHBGUYCE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.63
TPSA
35.25

LogP / Solubility

WLOGP
3.87
MLOGP
3.41
XLogP3
3.6
Consensus LogP
3.63
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.97
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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