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CAS 1095545-14-4 3-(2-CHLORO-PHENYL) PYRROLIDINE HCL molecular structure lightbox
CAS RN: 1095545-14-4

3-(2-CHLORO-PHENYL) PYRROLIDINE HCL

  • Product code: SSC-010930
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1095545-14-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1095545-14-4 / 3-(2-chlorophenyl)pyrrolidine;hydrochloride

3-(2-Chlorophenyl)pyrrolidine hydrochloride | MFCD03094760 | 3-(2-CHLOROPHENYL)PYRROLIDINE HCL

Standard CAS: 1095545-14-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1095545-14-4
Multi CAS
No
Molecular Formula
C10H13Cl2N
Molecular Weight
218.120000
Exact Mass
217.042505
SMILES
C1CNCC1C2=CC=CC=C2Cl.Cl
InChI
InChI=1S/C10H12ClN.ClH/c11-10-4-2-1-3-9(10)8-5-6-12-7-8;/h1-4,8,12H,5-7H2;1H
InChIKey
QNOZWUMAYVLCKF-UHFFFAOYSA-N
Synonyms
3-(2-Chlorophenyl)pyrrolidine hydrochloride MFCD03094760 3-(2-CHLOROPHENYL)PYRROLIDINE HCL 3-(2-CHLORO-PHENYL)-PYRROLIDINE HYDROCHLORIDE 3-(2-chlorophenyl)pyrrolidine;hydrochloride

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
58.93
TPSA
12.03

LogP / Solubility

WLOGP
2.84
MLOGP
2.5
XLogP3
2.84
Consensus LogP
2.73
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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)
-2.04

Drug-likeness / Medicinal Chemistry

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

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