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CAS 5656-67-7 naphtho[2,1-b]furan-2-carboxylic acid(SALTDATA: FREE) molecular structure lightbox
CAS RN: 5656-67-7

naphtho[2,1-b]furan-2-carboxylic acid(SALTDATA: FREE)

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250303 1g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250921 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20260103 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260520 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS5656-67-7
  • Purity/Analytical Methods: >99.0%
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5656-67-7 / benzo[e][1]benzofuran-2-carboxylic acid

Standard CAS: 5656-67-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5656-67-7
Multi CAS
No
Molecular Formula
C13H8O3
Molecular Weight
212.200000
Exact Mass
212.047344
InChI
InChI=1S/C13H8O3/c14-13(15)12-7-10-9-4-2-1-3-8(9)5-6-11(10)16-12/h1-7H,(H,14,15)
InChIKey
QVRZMUFOHNANGY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
13
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.68
TPSA
50.44

LogP / Solubility

WLOGP
3.28
MLOGP
2.89
XLogP3
3.7
Consensus LogP
3.29
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
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)
-1.68

Drug-likeness / Medicinal Chemistry

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

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