[email protected]
CAS 1228560-90-4 (2R)-2-(4-CHLOROPHENYL)PYRROLIDINE HCL molecular structure lightbox
CAS RN: 1228560-90-4

(2R)-2-(4-CHLOROPHENYL)PYRROLIDINE HCL

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260612 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1228560-90-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1228560-90-4 / (2R)-2-(4-chlorophenyl)pyrrolidine;hydrochloride

Standard CAS: 1228560-90-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1228560-90-4
Multi CAS
No
Molecular Formula
C10H13Cl2N
Molecular Weight
218.120000
Exact Mass
217.042505
SMILES
C1C[C@@H](NC1)C2=CC=C(C=C2)Cl.Cl
InChI
InChI=1S/C10H12ClN.ClH/c11-9-5-3-8(4-6-9)10-2-1-7-12-10;/h3-6,10,12H,1-2,7H2;1H/t10-;/m1./s1
InChIKey
BVEQCCJUWYROBR-HNCPQSOCSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.68
TPSA
12.03

LogP / Solubility

WLOGP
3.19
MLOGP
2.81
XLogP3
3.19
Consensus LogP
3.06
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly 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)
-1.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us