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CAS 1049755-14-7 (2S,4R)-4-allylpyrrolidine-2-carboxylic acid hydrochloride molecular structure lightbox
CAS RN: 1049755-14-7

(2S,4R)-4-allylpyrrolidine-2-carboxylic acid hydrochloride

  • Product code: SSC-006741
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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: 0.25g
  • 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 1049755-14-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1049755-14-7 / (2S,4R)-4-prop-2-enylpyrrolidine-2-carboxylic acid;hydrochloride

(2S,4R)-4-Allylpyrrolidine-2-carboxylic acid hydrochloride | MFCD06659250 | (2S,4R)-4-ALLYLPYRROLIDINE-2-CARBOXYLIC ACID HCL

Standard CAS: 1049755-14-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1049755-14-7
Multi CAS
Yes
Molecular Formula
C8H14ClNO2
Molecular Weight
191.650000
Exact Mass
191.071306
SMILES
C=CC[C@@H]1C[C@H](NC1)C(=O)O.Cl
InChI
InChI=1S/C8H13NO2.ClH/c1-2-3-6-4-7(8(10)11)9-5-6;/h2,6-7,9H,1,3-5H2,(H,10,11);1H/t6-,7+;/m1./s1
InChIKey
QOKUYUBQOIDWLE-HHQFNNIRSA-N
Synonyms
(2S,4R)-4-Allylpyrrolidine-2-carboxylic acid hydrochloride MFCD06659250 (2S,4R)-4-ALLYLPYRROLIDINE-2-CARBOXYLIC ACID HCL (R)-gamma-allyl-L-proline-HCl (2S,4R)-4-prop-2-enylpyrrolidine-2-carboxylic acid;hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.6
TPSA
49.33

LogP / Solubility

WLOGP
1.05
MLOGP
0.92
XLogP3
1.05
Consensus LogP
1.01
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately 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)
-3.15

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
2.5

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