[email protected]
CAS 85553-54-4 (3-PYRID-3-YLPHENYL)METHANOL molecular structure lightbox
CAS RN: 85553-54-4

(3-PYRID-3-YLPHENYL)METHANOL

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260501 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS85553-54-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

85553-54-4 / (3-pyridin-3-ylphenyl)methanol

Standard CAS: 85553-54-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
85553-54-4
Multi CAS
No
Molecular Formula
C12H11NO
Molecular Weight
185.220000
Exact Mass
185.084064
InChI
InChI=1S/C12H11NO/c14-9-10-3-1-4-11(7-10)12-5-2-6-13-8-12/h1-8,14H,9H2
InChIKey
TVEWOWFVTBBHDA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.6
TPSA
33.12

LogP / Solubility

WLOGP
2.24
MLOGP
1.97
XLogP3
1.6
Consensus LogP
1.94
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us