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CAS 69687-80-5 METHYL 2,5-DIMETHYLPYRROLE-3-CARBOXYLATE molecular structure lightbox
CAS RN: 69687-80-5

METHYL 2,5-DIMETHYLPYRROLE-3-CARBOXYLATE

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250222 1g Out of stock Inquiry
Batchno.20250404 250mg Out of stock Inquiry
Batchno.20251218 5g Out of stock Inquiry
  • Product code: SSC-179411
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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: 5g
  • 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 69687-80-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

69687-80-5 / methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate

Standard CAS: 69687-80-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
69687-80-5
Multi CAS
No
Molecular Formula
C8H11NO2
Molecular Weight
153.180000
Exact Mass
153.078979
InChI
InChI=1S/C8H11NO2/c1-5-4-7(6(2)9-5)8(10)11-3/h4,9H,1-3H3
InChIKey
OQWZEJIISPYZPW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.61
TPSA
42.09

LogP / Solubility

WLOGP
1.42
MLOGP
1.24
XLogP3
1.4
Consensus LogP
1.35
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
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)
-2.65

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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