CAS RN: 75629-19-5
kuwanon G
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250227 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251229 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250307 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260625 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250728 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250903 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS75629-19-5
- Purity/Analytical Methods: >99.0%
75629-19-5 / 8-[(1S,5R,6S)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one
Basic Information
CAS
75629-19-5
Multi CAS
Yes
Molecular Formula
C40H36O11
Molecular Weight
692.700000
Exact Mass
692.225762
InChI
InChI=1S/C40H36O11/c1-18(2)4-8-26-38(50)36-33(48)17-32(47)35(40(36)51-39(26)25-11-7-22(43)16-31(25)46)28-13-19(3)12-27(23-9-5-20(41)14-29(23)44)34(28)37(49)24-10-6-21(42)15-30(24)45/h4-7,9-11,13-17,27-28,34,41-48H,8,12H2,1-3H3/t27-,28-,34-/m0/s1
InChIKey
APPXYONGBIXGRO-AIQWNVMPSA-N
Computed Properties
Structural Parameters
Heavy atom count
51
Aromatic heavy atom count
28
Fraction Csp3
0.2
Rotatable bonds
7
H-bond acceptors
11
H-bond donors
8
Molar refractivity
188.93
TPSA
209.12
LogP / Solubility
WLOGP
7.33
MLOGP
6.51
XLogP3
7.3
Consensus LogP
7.05
Log S (ESOL)
-8.7
Class (ESOL)
Insoluble
Log S (Ali)
-10.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.09
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.74
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
7
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