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CAS 83-18-1 2,5-DIMETHYL-1-PHENYLPYRROLE-3-CARBOXALDEHYDE molecular structure lightbox
CAS RN: 83-18-1

2,5-DIMETHYL-1-PHENYLPYRROLE-3-CARBOXALDEHYDE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260523 10g In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250220 1g In stock Shanghai Inquiry
Batchno.20260314 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250828 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-190971
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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 83-18-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

83-18-1 / 2,5-dimethyl-1-phenylpyrrole-3-carbaldehyde

Standard CAS: 83-18-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
83-18-1
Multi CAS
Yes
Molecular Formula
C13H13NO
Molecular Weight
199.250000
Exact Mass
199.099714
InChI
InChI=1S/C13H13NO/c1-10-8-12(9-15)11(2)14(10)13-6-4-3-5-7-13/h3-9H,1-2H3
InChIKey
LNROIXNEIZSESG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
60.63
TPSA
22

LogP / Solubility

WLOGP
2.91
MLOGP
2.56
XLogP3
2.6
Consensus LogP
2.69
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly 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)
-1.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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