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CAS 115122-63-9 TIMTEC-BB SBB010636 molecular structure lightbox
CAS RN: 115122-63-9

TIMTEC-BB SBB010636

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250203 200mg In stock Shanghai Inquiry
  • Product code: SSC-014835
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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 115122-63-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

115122-63-9 / 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid

2-oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridine-3-carboxylic acid | 2-oxo-1H,2H,5H,6H,7H-cyclopenta(b)pyridine-3-carboxylic acid | RefChem:477669

Standard CAS: 115122-63-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
115122-63-9
Multi CAS
Yes
Molecular Formula
C9H9NO3
Molecular Weight
179.170000
Exact Mass
179.058243
SMILES
C1CC2=C(C1)NC(=O)C(=C2)C(=O)O
InChI
InChI=1S/C9H9NO3/c11-8-6(9(12)13)4-5-2-1-3-7(5)10-8/h4H,1-3H2,(H,10,11)(H,12,13)
InChIKey
GOBCNYSBQFAPOI-UHFFFAOYSA-N
Synonyms
2-oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridine-3-carboxylic acid 2-oxo-1H,2H,5H,6H,7H-cyclopenta(b)pyridine-3-carboxylic acid RefChem:477669 819-800-3 2-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.05
TPSA
70.16

LogP / Solubility

WLOGP
0.56
MLOGP
0.49
XLogP3
0.7
Consensus LogP
0.58
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
Class (SILICOS-IT)
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)
-3.41

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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