[email protected]
CAS 5594-97-8 2H-Naphtho[1,2-b]pyran-2-one, 4-hydroxy- molecular structure lightbox
CAS RN: 5594-97-8

2H-Naphtho[1,2-b]pyran-2-one, 4-hydroxy-

  • Product code: SSC-163887
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 10
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 5594-97-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g -- 3 In Stock Shanghai Inquiry
5g ≥95% 3 In Stock Shenzhen Inquiry
10g -- 3 In Stock Shenzhen Inquiry
10g ≥95% 3 In Stock Hong Kong Inquiry
0.1g -- 2 In Stock Shanghai Inquiry
0.1g ≥95% 2 In Stock Shanghai Inquiry
0.25g -- 2 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
1g -- 2 In Stock Shanghai Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry

5594-97-8 / 4-hydroxybenzo[h]chromen-2-one

Standard CAS: 5594-97-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5594-97-8
Multi CAS
No
Molecular Formula
C13H8O3
Molecular Weight
212.200000
Exact Mass
212.047344
InChI
InChI=1S/C13H8O3/c14-11-7-12(15)16-13-9-4-2-1-3-8(9)5-6-10(11)13/h1-7,14H
InChIKey
DYVMMOSLXBYVAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
14
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.65
TPSA
50.44

LogP / Solubility

WLOGP
2.65
MLOGP
2.34
XLogP3
2.5
Consensus LogP
2.5
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
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)
-2.13

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
1.5

Customers Also Viewed

Get In Touch

Contact Us