CAS RN: 27539-32-8
PEONIDINE-3-O-RUTINOSIDE CHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251223 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS27539-32-8
- Purity/Analytical Methods: >99.0%
27539-32-8 / 2-[[6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol chloride
Basic Information
CAS
27539-32-8
Multi CAS
Yes
Molecular Formula
C28H33CLO15
Molecular Weight
645.000000
Exact Mass
644.150798
InChI
InChI=1S/C28H32O15.ClH/c1-10-20(32)22(34)24(36)27(40-10)39-9-19-21(33)23(35)25(37)28(43-19)42-18-8-13-15(31)6-12(29)7-16(13)41-26(18)11-3-4-14(30)17(5-11)38-2;/h3-8,10,19-25,27-28,32-37H,9H2,1-2H3,(H2-,29,30,31);1H/t10-,19+,20-,21+,22+,23-,24+,25+,27+,28+;/m0./s1
InChIKey
KDFHRPXMWKFYPK-DCFICEFQSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
16
Fraction Csp3
0.46
Rotatable bonds
7
H-bond acceptors
14
H-bond donors
9
Molar refractivity
143.22
TPSA
239.52
LogP / Solubility
WLOGP
-3.46
MLOGP
-2.99
XLogP3
-3.46
Consensus LogP
-3.3
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.82
Class (SILICOS-IT)
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)
-9.11
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
10
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- CAS RN: 27542-39-8
- Product Code: starshine_CAS27542-39-8
- Purity/Analytical method: >99.0%
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