[email protected]
CAS 105351-70-0 Tanshinlactone molecular structure lightbox
CAS RN: 105351-70-0

Tanshinlactone

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250627 5mg Out of stock Inquiry
  • Product code: starshine_CAS105351-70-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

105351-70-0 / 6,14-dimethyl-12,16-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15),13-heptaen-17-one

RefChem:1092773 | Npc171082 | Tanshinlactone

Standard CAS: 105351-70-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
105351-70-0
Multi CAS
Yes
Molecular Formula
C17H12O3
Molecular Weight
264.270000
Exact Mass
264.078644
SMILES
CC1=C2C=CC3=C(C2=CC=C1)C(=O)OC4=C3OC=C4C
InChI
InChI=1S/C17H12O3/c1-9-4-3-5-12-11(9)6-7-13-14(12)17(18)20-15-10(2)8-19-16(13)15/h3-8H,1-2H3
InChIKey
VDYMGLBSIBHGCP-UHFFFAOYSA-N
Synonyms
RefChem:1092773 Npc171082 Tanshinlactone 6,14-dimethyl-12,16-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15),13-heptaen-17-one orb1681611

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
17
Fraction Csp3
0.12
H-bond acceptors
3
Molar refractivity
79.24
TPSA
43.35

LogP / Solubility

WLOGP
4.31
MLOGP
3.8
XLogP3
4.1
Consensus LogP
4.07
Log S (ESOL)
-4.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
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)
-1.27

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us