[email protected]
CAS 3042-22-6 2-PHENYLPYRROLE molecular structure lightbox
CAS RN: 3042-22-6

2-PHENYLPYRROLE

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260324 100mg In stock Inquiry
Batchno.20250702 1g In stock Inquiry
Batchno.20250515 250mg In stock Inquiry
  • Product code: SSC-134842
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 3042-22-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

3042-22-6 / 2-phenyl-1H-pyrrole

Standard CAS: 3042-22-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3042-22-6
Multi CAS
No
Molecular Formula
C10H9N
Molecular Weight
143.180000
Exact Mass
143.073499
InChI
InChI=1S/C10H9N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-8,11H
InChIKey
IRTLROCMFSDSNF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond donors
1
Molar refractivity
46.23
TPSA
15.79

LogP / Solubility

WLOGP
2.68
MLOGP
2.35
XLogP3
1.6
Consensus LogP
2.21
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.69

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