[email protected]
CAS 128311-08-0 PNU-282987 S enantiomer hydrochloride molecular structure lightbox
CAS RN: 128311-08-0

PNU-282987 S enantiomer hydrochloride

Product Availability

Choose a grade to view its available package options.

5 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250202 10mg Out of stock Inquiry
Batchno.20250726 1mg Out of stock Inquiry
Batchno.20260315 1mg / 5mg / 10mg / 25mg / 100mg Out of stock 8-10 business days Inquiry
Batchno.20250821 25mg Out of stock Inquiry
Batchno.20251122 5mg Out of stock Inquiry
  • Product code: starshine_CAS128311-08-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

128311-08-0 / N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-4-chlorobenzamide;hydrochloride

Standard CAS: 128311-08-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
128311-08-0
Multi CAS
No
Molecular Formula
C14H18Cl2N2O
Molecular Weight
301.200000
Exact Mass
300.079619
SMILES
C1CN2CCC1[C@@H](C2)NC(=O)C3=CC=C(C=C3)Cl.Cl
InChI
InChI=1S/C14H17ClN2O.ClH/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17;/h1-4,10,13H,5-9H2,(H,16,18);1H/t13-;/m1./s1
InChIKey
HSEQUIRZHDYOIX-BTQNPOSSSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
79.12
TPSA
32.34

LogP / Solubility

WLOGP
2.59
MLOGP
2.29
XLogP3
2.59
Consensus LogP
2.49
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5

Customers Also Viewed

Get In Touch

Contact Us