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CAS 3855-78-5 2,3,4-Trimethyl-1H-pyrrole molecular structure lightbox
CAS RN: 3855-78-5

2,3,4-Trimethyl-1H-pyrrole

Product Availability

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260510 100mg Out of stock Inquiry
Batchno.20250501 1g Out of stock Inquiry
Batchno.20260304 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-146194
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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: 0.25g
  • 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 3855-78-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

3855-78-5 / 2,3,4-trimethyl-1H-pyrrole

Standard CAS: 3855-78-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3855-78-5
Multi CAS
Yes
Molecular Formula
C7H11N
Molecular Weight
109.170000
Exact Mass
109.089149
InChI
InChI=1S/C7H11N/c1-5-4-8-7(3)6(5)2/h4,8H,1-3H3
InChIKey
WTMJHBZSSSDBFQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.43
H-bond donors
1
Molar refractivity
35
TPSA
15.79

LogP / Solubility

WLOGP
1.94
MLOGP
1.7
XLogP3
1.8
Consensus LogP
1.81
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
Class (SILICOS-IT)
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)
-2.01

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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