CAS RN: 465-99-6
Hederagenin
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250605 | 100mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20251106 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250730 | 1g | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
| Batchno.20260401 | 1mg | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20250411 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260325 | 5g | In stock | Shanghai | Inquiry |
| Batchno.20260207 | 5mg | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
- Product code: ICTH1645
- Purity/Analytical Methods: >98.0%(T)(HPLC)
465-99-6 / (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Basic Information
CAS
465-99-6
Multi CAS
Yes
Molecular Formula
C30H48O4
Molecular Weight
472.700000
Exact Mass
472.355260
InChI
InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1
InChIKey
PGOYMURMZNDHNS-MYPRUECHSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
134.09
TPSA
77.76
LogP / Solubility
WLOGP
6.21
MLOGP
5.49
XLogP3
6.8
Consensus LogP
6.17
Log S (ESOL)
-6.55
Class (ESOL)
Insoluble
Log S (Ali)
-7.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8
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