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CAS 1000340-16-8 5-CHLORO-3-IODO-6-METHYL-7-AZAINDOLE molecular structure lightbox
CAS RN: 1000340-16-8

5-CHLORO-3-IODO-6-METHYL-7-AZAINDOLE

  • Product code: SSC-000093
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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 1000340-16-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1000340-16-8 / 5-chloro-3-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine

1000340-16-8 | 5-Chloro-3-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine | 5-Chloro-3-iodo-6-methyl-7-azaindole

Standard CAS: 1000340-16-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1000340-16-8
Multi CAS
Yes
Molecular Formula
C8H6ClIN2
Molecular Weight
292.500000
Exact Mass
291.926420
SMILES
CC1=C(C=C2C(=CNC2=N1)I)Cl
InChI
InChI=1S/C8H6ClIN2/c1-4-6(9)2-5-7(10)3-11-8(5)12-4/h2-3H,1H3,(H,11,12)
InChIKey
YJEFLWVLVKJLRY-UHFFFAOYSA-N
Synonyms
1000340-16-8 5-Chloro-3-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine 5-Chloro-3-iodo-6-methyl-7-azaindole MFCD09880105 DTXSID80646864

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.56
TPSA
28.68

LogP / Solubility

WLOGP
3.13
MLOGP
2.76
XLogP3
3
Consensus LogP
2.96
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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