[email protected]
CAS 77741-58-3 1,7-Dihydroxy-3-methoxy-2-prenylxanthone molecular structure lightbox
CAS RN: 77741-58-3

1,7-Dihydroxy-3-methoxy-2-prenylxanthone

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250717 5mg Out of stock 30 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250623 1mg Out of stock Inquiry
  • Product code: starshine_CAS77741-58-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

77741-58-3 / 1,7-dihydroxy-3-methoxy-2-(3-methylbut-2-enyl)xanthen-9-one

Standard CAS: 77741-58-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
77741-58-3
Multi CAS
No
Molecular Formula
C19H18O5
Molecular Weight
326.300000
Exact Mass
326.115424
InChI
InChI=1S/C19H18O5/c1-10(2)4-6-12-15(23-3)9-16-17(18(12)21)19(22)13-8-11(20)5-7-14(13)24-16/h4-5,7-9,20-21H,6H2,1-3H3
InChIKey
JKOMBLYQDHTFJC-UHFFFAOYSA-N

Physical Properties

Melting Point
220 - 222 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
14
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
93.01
TPSA
79.9

LogP / Solubility

WLOGP
3.87
MLOGP
3.42
XLogP3
4.7
Consensus LogP
4
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.36
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96

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
2.5

Customers Also Viewed

Get In Touch

Contact Us