CAS RN: 28719-21-3

Diosmin Impurity 18

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Batchno.20250914 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS28719-21-3
  • Purity/Analytical Methods: >99.0%
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28719-21-3 / (2S)-2-(3,4-dimethoxyphenyl)-5-methoxy-7-[(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]oxy-2,3-dihydrochromen-4-one

Standard CAS: 28719-21-3 Multi CAS: Yes

Basic Information

CAS
28719-21-3
Multi CAS
Yes
Molecular Formula
C30H38O15
Molecular Weight
638.600000
Exact Mass
638.221071
InChI
InChI=1S/C30H38O15/c1-12-23(32)25(34)27(36)29(42-12)41-11-21-24(33)26(35)28(37)30(45-21)43-14-8-19(40-4)22-15(31)10-17(44-20(22)9-14)13-5-6-16(38-2)18(7-13)39-3/h5-9,12,17,21,23-30,32-37H,10-11H2,1-4H3/t12-,17-,21+,23-,24+,25+,26-,27+,28+,29+,30+/m0/s1
InChIKey
HGNGSTGMDVMUMT-IPVBXYCWSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
12
Fraction Csp3
0.57
Rotatable bonds
9
H-bond acceptors
15
H-bond donors
6
Molar refractivity
150.47
TPSA
212.29

LogP / Solubility

WLOGP
-0.55
MLOGP
-0.43
XLogP3
-1
Consensus LogP
-0.66
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly 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)
-7.01

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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