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CAS 93960-21-5 3-(3-Pyridyl)-D-alanine Dihydrochloride molecular structure lightbox
CAS RN: 93960-21-5

3-(3-Pyridyl)-D-alanine Dihydrochloride

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251220 1g In stock Inquiry
Batchno.20251026 25g Out of stock Inquiry
Batchno.20260423 5g In stock Inquiry
  • Product code: SSC-208451
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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 93960-21-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

93960-21-5 / (2R)-2-amino-3-pyridin-3-ylpropanoic acid;dihydrochloride

Standard CAS: 93960-21-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
93960-21-5
Multi CAS
Yes
Molecular Formula
C8H12CL2N2O2
Molecular Weight
239.100000
Exact Mass
238.027583
InChI
InChI=1S/C8H10N2O2.2ClH/c9-7(8(11)12)4-6-2-1-3-10-5-6;;/h1-3,5,7H,4,9H2,(H,11,12);2*1H/t7-;;/m1../s1
InChIKey
XORPRVNSFLBKBG-XCUBXKJBSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.05
TPSA
76.21

LogP / Solubility

WLOGP
0.88
MLOGP
0.78
XLogP3
0.88
Consensus LogP
0.85
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-3.55

Drug-likeness / Medicinal Chemistry

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

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