[email protected]
CAS 585534-03-8 Confluentin molecular structure lightbox
CAS RN: 585534-03-8

Confluentin

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260620 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS585534-03-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

585534-03-8 / 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,7-dimethylchromen-5-ol

Standard CAS: 585534-03-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
585534-03-8
Multi CAS
Yes
Molecular Formula
C22H30O2
Molecular Weight
326.500000
Exact Mass
326.224580
InChI
InChI=1S/C22H30O2/c1-16(2)8-6-9-17(3)10-7-12-22(5)13-11-19-20(23)14-18(4)15-21(19)24-22/h8,10-11,13-15,23H,6-7,9,12H2,1-5H3/b17-10+/t22-/m1/s1
InChIKey
WQOSNKWCIQZRGH-IHSQGBLNSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
102.57
TPSA
29.46

LogP / Solubility

WLOGP
6.34
MLOGP
5.59
XLogP3
6.7
Consensus LogP
6.21
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.76
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.21

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
3

Customers Also Viewed

Get In Touch

Contact Us