[email protected]
CAS 1086376-61-5 (4-{[6-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)methanol molecular structure lightbox
CAS RN: 1086376-61-5

(4-{[6-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)methanol

  • Product code: SSC-009870
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1086376-61-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1086376-61-5 / [4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol

(4-{[6-(Trifluoromethyl)pyridin-2-yl]oxy}phenyl)methanol | (4-((6-(Trifluoromethyl)pyridin-2-yl)oxy)phenyl)methanol | MFCD10703547

Standard CAS: 1086376-61-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1086376-61-5
Multi CAS
No
Molecular Formula
C13H10F3NO2
Molecular Weight
269.220000
Exact Mass
269.066363
SMILES
C1=CC(=NC(=C1)OC2=CC=C(C=C2)CO)C(F)(F)F
InChI
InChI=1S/C13H10F3NO2/c14-13(15,16)11-2-1-3-12(17-11)19-10-6-4-9(8-18)5-7-10/h1-7,18H,8H2
InChIKey
YOAYVPSGGJEMSW-UHFFFAOYSA-N
Synonyms
(4-{[6-(Trifluoromethyl)pyridin-2-yl]oxy}phenyl)methanol (4-((6-(Trifluoromethyl)pyridin-2-yl)oxy)phenyl)methanol MFCD10703547 [4-[6-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methanol (4-([6-(TRIFLUOROMETHYL)PYRIDIN-2-YL]OXY)PHENYL)METHANOL

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.68
TPSA
42.35

LogP / Solubility

WLOGP
3.39
MLOGP
2.99
XLogP3
2.7
Consensus LogP
3.03
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us