[email protected]
CAS 106894-43-3 “5-Allyl-3-Methoxy-6-Methyl-7-(3,4,5-triMethoxyphenyl)bicyclo[3.2.1]oct-3-ene-2,8-dione” molecular structure lightbox
CAS RN: 106894-43-3

“5-Allyl-3-Methoxy-6-Methyl-7-(3,4,5-triMethoxyphenyl)bicyclo[3.2.1]oct-3-ene-2,8-dione”

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250815 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS106894-43-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

106894-43-3 / 3-methoxy-6-methyl-5-prop-2-enyl-7-(3,4,5-trimethoxyphenyl)bicyclo[3.2.1]oct-3-ene-2,8-dione

5-Allyl-3-methoxy-6-methyl-7-(3,4,5-trimethoxyphenyl)bicyclo[3.2.1]oct-3-ene-2,8-dione | 5-Allyl-3-methoxy-6-methyl-7-(3,4,5-tri | 3-METHOXY-6-METHYL-5-(PROP-2-EN-1-YL)-7-(3,4,5-TRIMETHOXYPHENYL)BICYCLO[3.2.1]OCT-3-ENE-2,8-DIONE

Standard CAS: 106894-43-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
106894-43-3
Multi CAS
Yes
Molecular Formula
C22H26O6
Molecular Weight
386.400000
Exact Mass
386.172939
SMILES
CC1C(C2C(=O)C(=CC1(C2=O)CC=C)OC)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C22H26O6/c1-7-8-22-11-16(27-5)19(23)18(21(22)24)17(12(22)2)13-9-14(25-3)20(28-6)15(10-13)26-4/h7,9-12,17-18H,1,8H2,2-6H3
InChIKey
OKURGHZJDGLSIP-UHFFFAOYSA-N
Synonyms
5-Allyl-3-methoxy-6-methyl-7-(3,4,5-trimethoxyphenyl)bicyclo[3.2.1]oct-3-ene-2,8-dione 5-Allyl-3-methoxy-6-methyl-7-(3,4,5-tri 3-METHOXY-6-METHYL-5-(PROP-2-EN-1-YL)-7-(3,4,5-TRIMETHOXYPHENYL)BICYCLO[3.2.1]OCT-3-ENE-2,8-DIONE methoxyphenyl)bicyclo[3.2.1]oct-3-ene-2,8-dione 3-methoxy-6-methyl-5-prop-2-enyl-7-(3,4,5-trimethoxyphenyl)bicyclo[3.2.1]oct-3-ene-2,8-dione

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
7
H-bond acceptors
6
Molar refractivity
103.85
TPSA
71.06

LogP / Solubility

WLOGP
3.31
MLOGP
2.93
XLogP3
3.6
Consensus LogP
3.28
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.73

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
6.5

Customers Also Viewed

Get In Touch

Contact Us