[email protected]
CAS 711601-13-7 Isoquinoline, 2-ethyl-1,2,3,4-tetrahydro-7-nitro- (9CI) molecular structure lightbox
CAS RN: 711601-13-7

Isoquinoline, 2-ethyl-1,2,3,4-tetrahydro-7-nitro- (9CI)

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260119 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS711601-13-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

711601-13-7 / 2-ethyl-7-nitro-3,4-dihydro-1H-isoquinoline

Standard CAS: 711601-13-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
711601-13-7
Multi CAS
Yes
Molecular Formula
C11H14N2O2
Molecular Weight
206.240000
Exact Mass
206.105528
InChI
InChI=1S/C11H14N2O2/c1-2-12-6-5-9-3-4-11(13(14)15)7-10(9)8-12/h3-4,7H,2,5-6,8H2,1H3
InChIKey
WYGYMIKICPQWCH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
57.75
TPSA
46.38

LogP / Solubility

WLOGP
1.97
MLOGP
1.74
XLogP3
2
Consensus LogP
1.9
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately 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)
-2.58

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

Customers Also Viewed

Get In Touch

Contact Us