[email protected]
CAS 949926-49-2 Quercetin-3-o-rutinose molecular structure lightbox
CAS RN: 949926-49-2

Quercetin-3-o-rutinose

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260321 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS949926-49-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

949926-49-2 / 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

Standard CAS: 949926-49-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
949926-49-2
Multi CAS
Yes
Molecular Formula
C27H30O16
Molecular Weight
610.500000
Exact Mass
610.153385
InChI
InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3
InChIKey
IKGXIBQEEMLURG-UHFFFAOYSA-N

Physical Properties

Melting Point
125 °C
Physical Description
Solid Yellowish powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
16
Fraction Csp3
0.44
Rotatable bonds
6
H-bond acceptors
16
H-bond donors
10
Molar refractivity
140.2
TPSA
269.43

LogP / Solubility

WLOGP
-1.69
MLOGP
-1.44
XLogP3
-1.3
Consensus LogP
-1.48
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.95
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)
-7.64

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Customers Also Viewed

Get In Touch

Contact Us