[email protected]
CAS 137211-64-4 4-aMino-5-chloro-2,3-dihydro-N-4-piperidinyl-7-BenzofurancarboxaMide molecular structure lightbox
CAS RN: 137211-64-4

4-aMino-5-chloro-2,3-dihydro-N-4-piperidinyl-7-BenzofurancarboxaMide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250525 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS137211-64-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

137211-64-4 / 4-amino-5-chloro-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-carboxamide

Standard CAS: 137211-64-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
137211-64-4
Multi CAS
No
Molecular Formula
C14H18ClN3O2
Molecular Weight
295.760000
Exact Mass
295.108755
SMILES
C1CNCCC1NC(=O)C2=CC(=C(C3=C2OCC3)N)Cl
InChI
InChI=1S/C14H18ClN3O2/c15-11-7-10(13-9(12(11)16)3-6-20-13)14(19)18-8-1-4-17-5-2-8/h7-8,17H,1-6,16H2,(H,18,19)
InChIKey
ARFCANNJTSJXLS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
78.42
TPSA
76.38

LogP / Solubility

WLOGP
1.34
MLOGP
1.19
XLogP3
1.3
Consensus LogP
1.28
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
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