[email protected]
CAS 822-51-5 3,4-DIMETHYLPYRROLE molecular structure lightbox
CAS RN: 822-51-5

3,4-DIMETHYLPYRROLE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250406 1g Out of stock 15 business days Inquiry
  • Product code: SSC-190402
GET A QUOTE
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
Request Bulk Quote

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 822-51-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

822-51-5 / 3,4-dimethyl-1H-pyrrole

Standard CAS: 822-51-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
822-51-5
Multi CAS
No
Molecular Formula
C6H9N
Molecular Weight
95.140000
Exact Mass
95.073499
InChI
InChI=1S/C6H9N/c1-5-3-7-4-6(5)2/h3-4,7H,1-2H3
InChIKey
OJFOWGWQOFZNNJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.33
H-bond donors
1
Molar refractivity
30.27
TPSA
15.79

LogP / Solubility

WLOGP
1.63
MLOGP
1.42
XLogP3
1.4
Consensus LogP
1.48
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
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)
-2.14

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us