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CAS 78854-27-0 L-Proline,4-mercapto-,hydrochloride(1:1) molecular structure lightbox
CAS RN: 78854-27-0

L-Proline,4-mercapto-,hydrochloride(1:1)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260103 100mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-188143
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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: ≥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 78854-27-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

78854-27-0 / (2S,4S)-4-sulfanylpyrrolidine-2-carboxylic acid

Standard CAS: 78854-27-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
78854-27-0
Multi CAS
Yes
Molecular Formula
C5H9NO2S
Molecular Weight
147.200000
Exact Mass
147.035400
InChI
InChI=1S/C5H9NO2S.ClH/c7-5(8)4-1-3(9)2-6-4;/h3-4,6,9H,1-2H2,(H,7,8);1H/t3-,4-;/m0./s1
InChIKey
OBUGHYLMLADJFK-MMALYQPHSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
36.82
TPSA
49.33

LogP / Solubility

WLOGP
-0.27
MLOGP
-0.24
XLogP3
-2.4
Consensus LogP
-0.97
Log S (ESOL)
-0.52
Class (ESOL)
Very soluble
Log S (Ali)
-0.57
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.51
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)
-3.81

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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