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CAS 134235-82-8 1H-Pyrrolo[2,3-b]pyridine-3-propanoic acid, a-amino-, (aR)- molecular structure lightbox
CAS RN: 134235-82-8

1H-Pyrrolo[2,3-b]pyridine-3-propanoic acid, a-amino-, (aR)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250715 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-041714
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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 134235-82-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

134235-82-8 / (2R)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid

Standard CAS: 134235-82-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
134235-82-8
Multi CAS
No
Molecular Formula
C10H11N3O2
Molecular Weight
205.210000
Exact Mass
205.085127
SMILES
C1=CC2=C(NC=C2C[C@H](C(=O)O)N)N=C1
InChI
InChI=1S/C10H11N3O2/c11-8(10(14)15)4-6-5-13-9-7(6)2-1-3-12-9/h1-3,5,8H,4,11H2,(H,12,13)(H,14,15)/t8-/m1/s1
InChIKey
SNLOIIPRZGMRAB-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
55.41
TPSA
92

LogP / Solubility

WLOGP
0.52
MLOGP
0.46
XLogP3
-2
Consensus LogP
-0.34
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
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)
-3.6

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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