[email protected]
CAS 84468-17-7 H-9 2HCL molecular structure lightbox
CAS RN: 84468-17-7

H-9 2HCL

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251026 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS84468-17-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

84468-17-7 / N-(2-aminoethyl)isoquinoline-5-sulfonamide

Standard CAS: 84468-17-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84468-17-7
Multi CAS
Yes
Molecular Formula
C11H13N3O2S
Molecular Weight
251.310000
Exact Mass
251.072848
InChI
InChI=1S/C11H13N3O2S/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11/h1-4,6,8,14H,5,7,12H2
InChIKey
DCVZSHVZGVWQKV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
65.99
TPSA
85.08

LogP / Solubility

WLOGP
0.47
MLOGP
0.42
XLogP3
0.1
Consensus LogP
0.33
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.17
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.92

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