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CAS 933717-12-5 2-(1H-pyrrolo[2,3-c]pyridin-3-yl)acetic acid hydrochloride molecular structure lightbox
CAS RN: 933717-12-5

2-(1H-pyrrolo[2,3-c]pyridin-3-yl)acetic acid hydrochloride

  • Product code: SSC-207435
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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: 0.1g, 0.25g, 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 933717-12-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Hong Kong Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

933717-12-5 / 2-(1H-pyrrolo[2,3-c]pyridin-3-yl)acetic acid

Standard CAS: 933717-12-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
933717-12-5
Multi CAS
Yes
Molecular Formula
C9H8N2O2
Molecular Weight
176.170000
Exact Mass
176.058578
InChI
InChI=1S/C9H8N2O2/c12-9(13)3-6-4-11-8-5-10-2-1-7(6)8/h1-2,4-5,11H,3H2,(H,12,13)
InChIKey
JJXPFZJGXCHNDI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.43
TPSA
65.98

LogP / Solubility

WLOGP
1.19
MLOGP
1.04
XLogP3
0.4
Consensus LogP
0.88
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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)
-2.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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