CAS RN: 85999-40-2
23-Hydroxybetulinic Acid
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250304 | 100mg | Out of stock | Inquiry | ||
| Batchno.20260209 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260326 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260306 | 50mg | Out of stock | Inquiry | ||
| Batchno.20251229 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: ICTH1742
- Purity/Analytical Methods: >98.0%(HPLC)
85999-40-2 / 9-hydroxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
Basic Information
CAS
85999-40-2
Multi CAS
Yes
Molecular Formula
C30H48O4
Molecular Weight
472.700000
Exact Mass
472.355260
InChI
InChI=1S/C30H48O4/c1-18(2)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h19-24,31-32H,1,7-17H2,2-6H3,(H,33,34)/t19-,20+,21+,22+,23-,24+,26-,27-,28+,29+,30-/m0/s1
InChIKey
HXWLKAXCQLXHML-WGOZWDAUSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Fraction Csp3
0.9
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
134.02
TPSA
77.76
LogP / Solubility
WLOGP
6.06
MLOGP
5.37
XLogP3
7.5
Consensus LogP
6.31
Log S (ESOL)
-6.39
Class (ESOL)
Insoluble
Log S (Ali)
-7.81
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)
-1.3
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
9
