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CAS 69948-64-7 Methyl 4-Oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate molecular structure lightbox
CAS RN: 69948-64-7

Methyl 4-Oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

  • Product code: SSC-179716
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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: 5g
  • 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 69948-64-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

69948-64-7 / methyl 4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate

Standard CAS: 69948-64-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
69948-64-7
Multi CAS
No
Molecular Formula
C10H11NO3
Molecular Weight
193.200000
Exact Mass
193.073893
InChI
InChI=1S/C10H11NO3/c1-14-10(13)8-5-6-7(11-8)3-2-4-9(6)12/h5,11H,2-4H2,1H3
InChIKey
BZSSQPOUVNSCGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.4
TPSA
59.16

LogP / Solubility

WLOGP
1.32
MLOGP
1.16
XLogP3
1
Consensus LogP
1.16
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
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)
-2.96

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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