[email protected]
CAS 30557-81-4 (+)-Bisabolangelone molecular structure lightbox
CAS RN: 30557-81-4

(+)-Bisabolangelone

Product Availability

Choose a grade to view its available package options.

5 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260310 10mg Out of stock Inquiry
Batchno.20250719 1mg Out of stock Inquiry
Batchno.20260411 25mg Out of stock Inquiry
Batchno.20260115 50mg Out of stock Inquiry
Batchno.20260101 5mg Out of stock Inquiry
  • Product code: starshine_CAS30557-81-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

30557-81-4 / (2Z,3R,3aR,7aS)-3-hydroxy-3,6-dimethyl-2-(3-methylbut-2-enylidene)-7,7a-dihydro-3aH-1-benzofuran-4-one

Standard CAS: 30557-81-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
30557-81-4
Multi CAS
Yes
Molecular Formula
C15H20O3
Molecular Weight
248.320000
Exact Mass
248.141245
InChI
InChI=1S/C15H20O3/c1-9(2)5-6-13-15(4,17)14-11(16)7-10(3)8-12(14)18-13/h5-7,12,14,17H,8H2,1-4H3/b13-6-/t12-,14+,15-/m0/s1
InChIKey
GNWNPLBSEQDDQV-VRBKASCLSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.88
TPSA
46.53

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
1.8
Consensus LogP
2.18
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us