[email protected]
CAS 67667-71-4 “8α-(2-Methylacryloyloxy)hirsutinolide 13-O-acetate” molecular structure lightbox
CAS RN: 67667-71-4

“8α-(2-Methylacryloyloxy)hirsutinolide 13-O-acetate”

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251014 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS67667-71-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

67667-71-4 / [(2E)-6-(acetyloxymethyl)-11-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] 2-methylprop-2-enoate

Standard CAS: 67667-71-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67667-71-4
Multi CAS
Yes
Molecular Formula
C21H26O8
Molecular Weight
406.400000
Exact Mass
406.162768
InChI
InChI=1S/C21H26O8/c1-11(2)18(23)27-15-8-12(3)21(25)7-6-20(5,29-21)9-16-17(15)14(19(24)28-16)10-26-13(4)22/h9,12,15,25H,1,6-8,10H2,2-5H3/b16-9+
InChIKey
YKIDGUZXBGGNBZ-CXUHLZMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
1
Molar refractivity
99.98
TPSA
108.36

LogP / Solubility

WLOGP
2.07
MLOGP
1.85
XLogP3
1.3
Consensus LogP
1.74
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.73

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
8

Customers Also Viewed

Get In Touch

Contact Us