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CAS 129704-91-2 (S)–ALLYL-PROLINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 129704-91-2

(S)–ALLYL-PROLINE HYDROCHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251028 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-036579
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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 129704-91-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

129704-91-2 / (2S)-2-prop-2-enylpyrrolidine-2-carboxylic acid;hydrochloride

Standard CAS: 129704-91-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
129704-91-2
Multi CAS
No
Molecular Formula
C8H14ClNO2
Molecular Weight
191.650000
Exact Mass
191.071306
SMILES
C=CC[C@@]1(CCCN1)C(=O)O.Cl
InChI
InChI=1S/C8H13NO2.ClH/c1-2-4-8(7(10)11)5-3-6-9-8;/h2,9H,1,3-6H2,(H,10,11);1H/t8-;/m1./s1
InChIKey
DIYYEOOBZVTROL-DDWIOCJRSA-N

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
49.67
TPSA
49.33

LogP / Solubility

WLOGP
1.19
MLOGP
1.05
XLogP3
1.19
Consensus LogP
1.14
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.25
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)
-3.04

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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