[email protected]
CAS 31002-12-7 7-O-MethylMangiferin molecular structure lightbox
CAS RN: 31002-12-7

7-O-MethylMangiferin

Product Availability

Choose a grade to view its available package options.

2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250528 10mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251204 5mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS31002-12-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

31002-12-7 / 1,3,6-trihydroxy-7-methoxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one

Standard CAS: 31002-12-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31002-12-7
Multi CAS
Yes
Molecular Formula
C20H20O11
Molecular Weight
436.400000
Exact Mass
436.100561
InChI
InChI=1S/C20H20O11/c1-29-10-2-6-9(3-7(10)22)30-11-4-8(23)13(17(26)14(11)15(6)24)20-19(28)18(27)16(25)12(5-21)31-20/h2-4,12,16,18-23,25-28H,5H2,1H3/t12-,16-,18+,19-,20+/m1/s1
InChIKey
INBSFHNHCNZEOY-PQSJUMPYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
14
Fraction Csp3
0.35
Rotatable bonds
3
H-bond acceptors
11
H-bond donors
7
Molar refractivity
104.26
TPSA
190.28

LogP / Solubility

WLOGP
-0.41
MLOGP
-0.34
Consensus LogP
-0.25
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.68

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

Customers Also Viewed

Get In Touch

Contact Us