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CAS 331777-85-6 5-bromo-2,3,3-trimethyl-3H-pyrrolo[2,3-b]pyridine molecular structure lightbox
CAS RN: 331777-85-6

5-bromo-2,3,3-trimethyl-3H-pyrrolo[2,3-b]pyridine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250511 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-139116
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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: ＞97%
  • 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 331777-85-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

331777-85-6 / 5-bromo-2,3,3-trimethylpyrrolo[2,3-b]pyridine

Standard CAS: 331777-85-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
331777-85-6
Multi CAS
No
Molecular Formula
BC10H11Rn2
Molecular Weight
239.110000
Exact Mass
238.010560
InChI
InChI=1S/C10H11BrN2/c1-6-10(2,3)8-4-7(11)5-12-9(8)13-6/h4-5H,1-3H3
InChIKey
AHSNZIUQJNPBDY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
2
Molar refractivity
57.73
TPSA
25.25

LogP / Solubility

WLOGP
3.23
MLOGP
2.85
XLogP3
2.2
Consensus LogP
2.76
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly 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)
-1.89

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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