CAS RN: 22467-07-8
Gymnemagenin
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock1 grade group
- Product code: starshine_CAS22467-07-8
- Purity/Analytical Methods: >99.0%
22467-07-8 / 4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol
Basic Information
CAS
22467-07-8
Multi CAS
No
Molecular Formula
C30H50O6
Molecular Weight
506.700000
Exact Mass
506.360739
SMILES
CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1O)O)CO)O)C)C)(C)CO)O)C)C
InChI
InChI=1S/C30H50O6/c1-25(2)13-18-17-7-8-20-26(3)11-10-21(33)27(4,15-31)19(26)9-12-28(20,5)29(17,6)14-22(34)30(18,16-32)24(36)23(25)35/h7,18-24,31-36H,8-16H2,1-6H3
InChIKey
VKJLHZZPVLQJKG-UHFFFAOYSA-N
Physical Properties
Melting Point
301 - 303 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
36
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
6
Molar refractivity
137.71
TPSA
121.38
LogP / Solubility
WLOGP
3.03
MLOGP
2.7
XLogP3
4
Consensus LogP
3.24
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.71
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.66
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
Customers Also Viewed
-
RUBRATOXINA
- CAS RN: 22467-31-8
- Product Code: starshine_CAS22467-31-8
- Purity/Analytical method: >99.0%
-
-
-
-
methyl 3-(1-methyl-1H-pyrazol-4-yl)propanoate
- CAS RN: 224776-32-3
- Product Code: SSC-109879
-
