[email protected]
CAS 68978-04-1 Mulberrofuran A molecular structure lightbox
CAS RN: 68978-04-1

Mulberrofuran A

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250506 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS68978-04-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

68978-04-1 / 2-[2-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-3-methoxyphenyl]-1-benzofuran-6-ol

Standard CAS: 68978-04-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68978-04-1
Multi CAS
Yes
Molecular Formula
C25H28O4
Molecular Weight
392.500000
Exact Mass
392.198759
InChI
InChI=1S/C25H28O4/c1-16(2)6-5-7-17(3)8-11-21-22(13-20(27)15-24(21)28-4)25-12-18-9-10-19(26)14-23(18)29-25/h6,8-10,12-15,26-27H,5,7,11H2,1-4H3/b17-8+
InChIKey
MQYYTNPXQXSQGM-CAOOACKPSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
15
Fraction Csp3
0.28
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
117.66
TPSA
62.83

LogP / Solubility

WLOGP
6.75
MLOGP
5.97
XLogP3
7
Consensus LogP
6.57
Log S (ESOL)
-6.45
Class (ESOL)
Insoluble
Log S (Ali)
-7.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.66
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us