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CAS 1608986-16-8 (R)-3-phenyl-2-(pyrazine-2-carboxaMido)propanoic acid molecular structure lightbox
CAS RN: 1608986-16-8

(R)-3-phenyl-2-(pyrazine-2-carboxaMido)propanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250407 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-068615
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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 1608986-16-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1608986-16-8 / (2R)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoic acid

Standard CAS: 1608986-16-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1608986-16-8
Multi CAS
No
Molecular Formula
C14H13N3O3
Molecular Weight
271.270000
Exact Mass
271.095691
SMILES
C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)C2=NC=CN=C2
InChI
InChI=1S/C14H13N3O3/c18-13(12-9-15-6-7-16-12)17-11(14(19)20)8-10-4-2-1-3-5-10/h1-7,9,11H,8H2,(H,17,18)(H,19,20)/t11-/m1/s1
InChIKey
DWYZPDHMMZGQAP-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
71.07
TPSA
92.18

LogP / Solubility

WLOGP
0.9
MLOGP
0.8
XLogP3
1
Consensus LogP
0.9
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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