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CAS 1000340-17-9 3-BROMO-5-CHLORO-6-METHYL-7-AZAINDOLE molecular structure lightbox
CAS RN: 1000340-17-9

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

  • Product code: SSC-000094
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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 1000340-17-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1000340-17-9 / 3-bromo-5-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine

1000340-17-9 | 3-Bromo-5-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine | 3-Bromo-5-chloro-6-methyl-7-azaindole

Standard CAS: 1000340-17-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1000340-17-9
Multi CAS
No
Molecular Formula
C8H6BrClN2
Molecular Weight
245.500000
Exact Mass
243.940290
SMILES
CC1=C(C=C2C(=CNC2=N1)Br)Cl
InChI
InChI=1S/C8H6BrClN2/c1-4-7(10)2-5-6(9)3-11-8(5)12-4/h2-3H,1H3,(H,11,12)
InChIKey
OGNATGJYATUIKC-UHFFFAOYSA-N
Synonyms
1000340-17-9 3-Bromo-5-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine 3-Bromo-5-chloro-6-methyl-7-azaindole DTXSID40646865 MFCD09880106

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
53.54
TPSA
28.68

LogP / Solubility

WLOGP
3.29
MLOGP
2.9
XLogP3
3
Consensus LogP
3.06
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly 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)
-1.88

Drug-likeness / Medicinal Chemistry

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

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