[email protected]
CAS 2100285-41-2 AZ-8838 molecular structure lightbox
CAS RN: 2100285-41-2

AZ-8838

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250819 10mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2100285-41-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2100285-41-2 / (S)-(4-fluoro-2-propylphenyl)-(1H-imidazol-2-yl)methanol

Standard CAS: 2100285-41-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2100285-41-2
Multi CAS
No
Molecular Formula
C13H15FN2O
Molecular Weight
234.270000
Exact Mass
234.116841
SMILES
CCCC1=C(C=CC(=C1)F)[C@@H](C2=NC=CN2)O
InChI
InChI=1S/C13H15FN2O/c1-2-3-9-8-10(14)4-5-11(9)12(17)13-15-6-7-16-13/h4-8,12,17H,2-3H2,1H3,(H,15,16)/t12-/m0/s1
InChIKey
IDFPQEHZYBXIFO-LBPRGKRZSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
63.04
TPSA
48.91

LogP / Solubility

WLOGP
2.58
MLOGP
2.28
XLogP3
2.3
Consensus LogP
2.39
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly 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)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us