[email protected]
CAS 64828-40-6 Quercetin 3-O-sophoroside-7-O-rhamnoside molecular structure lightbox
CAS RN: 64828-40-6

Quercetin 3-O-sophoroside-7-O-rhamnoside

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260323 5mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260429 10mg Out of stock Inquiry
  • Product code: starshine_CAS64828-40-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

64828-40-6 / 3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one

Standard CAS: 64828-40-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
64828-40-6
Multi CAS
Yes
Molecular Formula
C33H40O21
Molecular Weight
772.700000
Exact Mass
772.206208
InChI
InChI=1S/C33H40O21/c1-9-19(39)23(43)26(46)31(48-9)49-11-5-14(38)18-15(6-11)50-28(10-2-3-12(36)13(37)4-10)29(22(18)42)53-33-30(25(45)21(41)17(8-35)52-33)54-32-27(47)24(44)20(40)16(7-34)51-32/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,30+,31-,32-,33-/m0/s1
InChIKey
CAXLTZYEJPQCKD-SBQRELSASA-N

Computed Properties

Structural Parameters

Heavy atom count
54
Aromatic heavy atom count
16
Fraction Csp3
0.55
Rotatable bonds
9
H-bond acceptors
21
H-bond donors
13
Molar refractivity
172.93
TPSA
348.58

LogP / Solubility

WLOGP
-4.21
MLOGP
-3.64
XLogP3
-2.5
Consensus LogP
-3.45
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-10.43

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