[email protected]
CAS 20958-18-3 Dihydrotanshinone molecular structure lightbox
CAS RN: 20958-18-3

Dihydrotanshinone

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250307 1mg Out of stock Inquiry
  • Product code: starshine_CAS20958-18-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

20958-18-3 / 4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione

Standard CAS: 20958-18-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20958-18-3
Multi CAS
No
Molecular Formula
C18H14O3
Molecular Weight
278.300000
Exact Mass
278.094294
SMILES
CC1COC2=C1C(=O)C3=C(C2=O)C4=CC=CC(=C4C=C3)C
InChI
InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)18-14(16(13)19)10(2)8-21-18/h3-7,10H,8H2,1-2H3
InChIKey
KXNYCALHDXGJSF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.22
H-bond acceptors
3
Molar refractivity
79.49
TPSA
43.37

LogP / Solubility

WLOGP
3.45
MLOGP
3.04
XLogP3
3.6
Consensus LogP
3.36
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly 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)
-1.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us