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CAS 198774-27-5 L-Propargylglycine HCL molecular structure lightbox
CAS RN: 198774-27-5

L-Propargylglycine HCL

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260605 1g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20260624 250mg In stock Shanghai Inquiry
  • Product code: SSC-093628
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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: 1g
  • Available purity: ＞97%
  • 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 198774-27-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

198774-27-5 / (2S)-2-aminopent-4-ynoic acid;hydrochloride

Standard CAS: 198774-27-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
198774-27-5
Multi CAS
No
Molecular Formula
C5H8ClNO2
Molecular Weight
149.570000
Exact Mass
149.024356
SMILES
C#CC[C@@H](C(=O)O)N.Cl
InChI
InChI=1S/C5H7NO2.ClH/c1-2-3-4(6)5(7)8;/h1,4H,3,6H2,(H,7,8);1H/t4-;/m0./s1
InChIKey
UAMBUICGODABQY-WCCKRBBISA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
36.31
TPSA
63.32

LogP / Solubility

WLOGP
-0.16
MLOGP
-0.14
XLogP3
-0.16
Consensus LogP
-0.15
Log S (ESOL)
-0.54
Class (ESOL)
Very soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.74
Class (SILICOS-IT)
Very 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)
-3.74

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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