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CAS 1384269-00-4 (R)-3-(3,4-DICHLOROPHENYL)PYRROLIDINE HCL molecular structure lightbox
CAS RN: 1384269-00-4

(R)-3-(3,4-DICHLOROPHENYL)PYRROLIDINE HCL

  • Product code: SSC-048409
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1384269-00-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Shanghai Inquiry

1384269-00-4 / (3R)-3-(3,4-dichlorophenyl)pyrrolidine;hydrochloride

Standard CAS: 1384269-00-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1384269-00-4
Multi CAS
No
Molecular Formula
C10H12Cl3N
Molecular Weight
252.600000
Exact Mass
251.003532
SMILES
C1CNC[C@H]1C2=CC(=C(C=C2)Cl)Cl.Cl
InChI
InChI=1S/C10H11Cl2N.ClH/c11-9-2-1-7(5-10(9)12)8-3-4-13-6-8;/h1-2,5,8,13H,3-4,6H2;1H/t8-;/m0./s1
InChIKey
CLEBEYWTFWLKQX-QRPNPIFTSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.94
TPSA
12.03

LogP / Solubility

WLOGP
3.49
MLOGP
3.08
XLogP3
3.49
Consensus LogP
3.35
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly 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)
-1.78

Drug-likeness / Medicinal Chemistry

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

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