[email protected]
CAS 71590-96-0 2-hydroxy-6-methoxybenzonitrile molecular structure lightbox
CAS RN: 71590-96-0

2-hydroxy-6-methoxybenzonitrile

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250304 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS71590-96-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

71590-96-0 / 2-hydroxy-6-methoxybenzonitrile

Standard CAS: 71590-96-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
71590-96-0
Multi CAS
No
Molecular Formula
C8H7NO2
Molecular Weight
149.150000
Exact Mass
149.047678
InChI
InChI=1S/C8H7NO2/c1-11-8-4-2-3-7(10)6(8)5-9/h2-4,10H,1H3
InChIKey
QGYFJXQOCAMACX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.37
TPSA
53.25

LogP / Solubility

WLOGP
1.27
MLOGP
1.11
XLogP3
1.8
Consensus LogP
1.39
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73

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