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CAS 69135-41-7 Aromadendrin 7-O-rhamnoside molecular structure lightbox
CAS RN: 69135-41-7

Aromadendrin 7-O-rhamnoside

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251029 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS69135-41-7
  • Purity/Analytical Methods: >99.0%
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69135-41-7 / 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3-dihydrochromen-4-one

Standard CAS: 69135-41-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
69135-41-7
Multi CAS
Yes
Molecular Formula
C21H22O10
Molecular Weight
434.400000
Exact Mass
434.121297
InChI
InChI=1S/C21H22O10/c1-8-15(24)17(26)19(28)21(29-8)30-11-6-12(23)14-13(7-11)31-20(18(27)16(14)25)9-2-4-10(22)5-3-9/h2-8,15,17-24,26-28H,1H3/t8-,15-,17+,18-,19+,20+,21-/m0/s1
InChIKey
YNPUJIONBZSHJT-RGFFTFQBSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
10
H-bond donors
6
Molar refractivity
102.9
TPSA
166.14

LogP / Solubility

WLOGP
-0.02
MLOGP
0.01
XLogP3
0.5
Consensus LogP
0.16
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.83
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)
-5.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

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