[email protected]
CAS 142648-47-3 Benzo[b]thiophene-2-carboximidamide, 4-fluoro-N-hydroxy-5,6-dimethoxy- molecular structure lightbox
CAS RN: 142648-47-3

Benzo[b]thiophene-2-carboximidamide, 4-fluoro-N-hydroxy-5,6-dimethoxy-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250723 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS142648-47-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

142648-47-3 / 4-fluoro-N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide

Standard CAS: 142648-47-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
142648-47-3
Multi CAS
No
Molecular Formula
C11H11FN2O3S
Molecular Weight
270.280000
Exact Mass
270.047442
SMILES
COC1=CC2=C(C=C(S2)/C(=N/O)/N)C(=C1OC)F
InChI
InChI=1S/C11H11FN2O3S/c1-16-6-4-7-5(9(12)10(6)17-2)3-8(18-7)11(13)14-15/h3-4,15H,1-2H3,(H2,13,14)
InChIKey
JHCWLAVFDAPCMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
67.4
TPSA
77.07

LogP / Solubility

WLOGP
2.15
MLOGP
1.9
XLogP3
2.4
Consensus LogP
2.15
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us