CAS RN: 38665-01-9
Neodiosmin
Product Availability
Choose a grade to view its available package options.
15 package records15 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260628 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250122 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250627 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250226 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20251113 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250903 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251017 | 50mg | In stock | Shanghai | Inquiry |
- Product code: ICTN1161
- Purity/Analytical Methods: >95.0%(HPLC)
38665-01-9 / 7-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
Basic Information
CAS
38665-01-9
Multi CAS
Yes
Molecular Formula
C28H32O15
Molecular Weight
608.500000
Exact Mass
608.174120
InChI
InChI=1S/C28H32O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-8,10,19,21-31,33-37H,9H2,1-2H3
InChIKey
VCCNKWWXYVWTLT-UHFFFAOYSA-N
Physical Properties
Melting Point
266 - 268 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
16
Fraction Csp3
0.46
Rotatable bonds
7
H-bond acceptors
15
H-bond donors
8
Molar refractivity
143.42
TPSA
238.2
LogP / Solubility
WLOGP
-1.09
MLOGP
-0.91
XLogP3
-0.3
Consensus LogP
-0.77
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly 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)
-7.21
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
