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CAS 1072227-55-4 (S)-3-Chloro-pyrrolidine hydrochloride molecular structure lightbox
CAS RN: 1072227-55-4

(S)-3-Chloro-pyrrolidine hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250610 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-008703
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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: 2
  • 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 1072227-55-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

1072227-55-4 / (3S)-3-chloropyrrolidine;hydrochloride

(S)-3-Chloropyrrolidine hydrochloride | (S)-3-Chloro-pyrrolidine hydrochloride | MFCD19227318

Standard CAS: 1072227-55-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1072227-55-4
Multi CAS
Yes
Molecular Formula
C4H9Cl2N
Molecular Weight
142.020000
Exact Mass
141.011205
SMILES
C1CNC[C@H]1Cl.Cl
InChI
InChI=1S/C4H8ClN.ClH/c5-4-1-2-6-3-4;/h4,6H,1-3H2;1H/t4-;/m0./s1
InChIKey
STVCMMDAWUYBCG-WCCKRBBISA-N
Synonyms
(S)-3-Chloropyrrolidine hydrochloride (S)-3-Chloro-pyrrolidine hydrochloride MFCD19227318 (3S)-3-chloropyrrolidine;hydrochloride (S)-3-Chloropyrrolidine HCl

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
34.38
TPSA
12.03

LogP / Solubility

WLOGP
1.01
MLOGP
0.88
XLogP3
1.01
Consensus LogP
0.97
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
Class (SILICOS-IT)
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)
-2.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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