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CAS 19694-02-1 1-Pyrenecarboxylic Acid molecular structure lightbox
CAS RN: 19694-02-1

1-Pyrenecarboxylic Acid

Product Availability

Choose a grade to view its available package options.

10 package records10 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251109 100g In stock Shanghai Inquiry
Batchno.20250311 100mg In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
Batchno.20251003 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260314 1g In stock Shanghai, Guangdong, Hebei Inquiry
Batchno.20260302 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260326 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260306 25g In stock Shanghai Inquiry
Batchno.20251212 25g In stock Shanghai Inquiry
Batchno.20260220 5g In stock Shanghai, Shandong Inquiry
Batchno.20250910 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-092927
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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, 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 19694-02-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

19694-02-1 / pyrene-1-carboxylic acid

Standard CAS: 19694-02-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19694-02-1
Multi CAS
No
Molecular Formula
C17H10O2
Molecular Weight
246.260000
Exact Mass
246.068080
SMILES
C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(=O)O
InChI
InChI=1S/C17H10O2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,(H,18,19)
InChIKey
HYISVWRHTUCNCS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
77.11
TPSA
37.3

LogP / Solubility

WLOGP
4.28
MLOGP
3.77
XLogP3
5
Consensus LogP
4.35
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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