[email protected]
CAS 2169-87-1 2,3-Naphthalenedicarboxylic Acid molecular structure lightbox
CAS RN: 2169-87-1

2,3-Naphthalenedicarboxylic Acid

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251028 10g In stock Shanghai Inquiry
Batchno.20250714 1g In stock Shanghai Inquiry
Batchno.20260509 1g / 5g / 25g Confirm by inquiry Shanghai, Chongqing Inquiry
Batchno.20260625 250mg In stock Shanghai Inquiry
Batchno.20250227 25g In stock Wuhan, Chengdu Inquiry
Batchno.20260615 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-104307
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: 5g
  • Available purity: ＞97%
  • 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 2169-87-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

2169-87-1 / naphthalene-2,3-dicarboxylic acid

Standard CAS: 2169-87-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2169-87-1
Multi CAS
No
Molecular Formula
C12H8O4
Molecular Weight
216.190000
Exact Mass
216.042259
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)O)C(=O)O
InChI
InChI=1S/C12H8O4/c13-11(14)9-5-7-3-1-2-4-8(7)6-10(9)12(15)16/h1-6H,(H,13,14)(H,15,16)
InChIKey
KHARCSTZAGNHOT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.87
TPSA
74.6

LogP / Solubility

WLOGP
2.24
MLOGP
1.97
XLogP3
2.2
Consensus LogP
2.14
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us