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CAS 81854-56-0 N,N-Dipropyl-L-alanine molecular structure lightbox
CAS RN: 81854-56-0

N,N-Dipropyl-L-alanine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251208 200mg In stock Shanghai Inquiry
  • Product code: SSC-190143
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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 81854-56-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

81854-56-0 / 2-(dipropylamino)propanoic acid

Standard CAS: 81854-56-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81854-56-0
Multi CAS
Yes
Molecular Formula
C9H19NO2
Molecular Weight
173.250000
Exact Mass
173.141579
InChI
InChI=1S/C9H19NO2/c1-4-6-10(7-5-2)8(3)9(11)12/h8H,4-7H2,1-3H3,(H,11,12)
InChIKey
GZRZQYMPUHUFSQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.25
TPSA
40.54

LogP / Solubility

WLOGP
1.58
MLOGP
1.39
XLogP3
-0.2
Consensus LogP
0.92
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.65

Drug-likeness / Medicinal Chemistry

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

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