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CAS 30448-09-0 4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 30448-09-0

4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBOXYLIC ACID

  • Product code: SSC-134896
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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 30448-09-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

30448-09-0 / 4,5,6-trimethoxy-1H-indole-2-carboxylic acid

Standard CAS: 30448-09-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
30448-09-0
Multi CAS
Yes
Molecular Formula
C12H13NO5
Molecular Weight
251.230000
Exact Mass
251.079373
InChI
InChI=1S/C12H13NO5/c1-16-9-5-7-6(4-8(13-7)12(14)15)10(17-2)11(9)18-3/h4-5,13H,1-3H3,(H,14,15)
InChIKey
PRUGUKSHOAAIBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
64.91
TPSA
80.78

LogP / Solubility

WLOGP
1.89
MLOGP
1.67
XLogP3
1.8
Consensus LogP
1.79
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91

Drug-likeness / Medicinal Chemistry

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

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