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CAS 959237-67-3 2-METHOXY-6,7-DIHYDRO-5H-CYCLOPENTA[B]PYRIDINE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 959237-67-3

2-METHOXY-6,7-DIHYDRO-5H-CYCLOPENTA[B]PYRIDINE-3-CARBOXYLIC ACID

  • Product code: starshine_CAS959237-67-3
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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: 0.25g
  • 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 959237-67-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g 95%+ 0 Out of Stock Beijing Inquiry

959237-67-3 / 2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

Standard CAS: 959237-67-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
959237-67-3
Multi CAS
No
Molecular Formula
C10H11NO3
Molecular Weight
193.200000
Exact Mass
193.073893
InChI
InChI=1S/C10H11NO3/c1-14-9-7(10(12)13)5-6-3-2-4-8(6)11-9/h5H,2-4H2,1H3,(H,12,13)
InChIKey
KYIDUKKOMMQHMY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.77
TPSA
59.42

LogP / Solubility

WLOGP
1.28
MLOGP
1.12
XLogP3
1.4
Consensus LogP
1.27
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-2.99

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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