CAS RN: 14356-59-3
(4R)-13,28-Epoxyolean-11-ene-3β,16β,23-triol
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: starshine_CAS14356-59-3
- Purity/Analytical Methods: >99.0%
14356-59-3 / (1S,2S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-ene-2,10-diol
Basic Information
CAS
14356-59-3
Multi CAS
No
Molecular Formula
C30H48O4
Molecular Weight
472.700000
Exact Mass
472.355260
SMILES
C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2C=C[C@@]45[C@]3(C[C@@H]([C@@]6([C@H]4CC(CC6)(C)C)CO5)O)C)C)(C)CO)O
InChI
InChI=1S/C30H48O4/c1-24(2)13-14-29-18-34-30(21(29)15-24)12-8-20-25(3)10-9-22(32)26(4,17-31)19(25)7-11-27(20,5)28(30,6)16-23(29)33/h8,12,19-23,31-33H,7,9-11,13-18H2,1-6H3/t19-,20-,21-,22+,23+,25+,26+,27-,28+,29-,30+/m1/s1
InChIKey
IUBQSOTVBGNWDI-CUMBFETHSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Fraction Csp3
0.93
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
132.97
TPSA
69.92
LogP / Solubility
WLOGP
5.1
MLOGP
4.52
XLogP3
5.8
Consensus LogP
5.14
Log S (ESOL)
-5.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.09
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
Customers Also Viewed
-
2-HEXANOYLFURAN
- CAS RN: 14360-50-0
- Product Code: starshine_CAS14360-50-0
- Purity/Analytical method: >99.0%
-
-
CHLORCYCLIZINE HYDROCHLORIDE
- CAS RN: 14362-31-3
- Product Code: starshine_CAS14362-31-3
- Purity/Analytical method: >99.0%
-
BIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)ZINC
- CAS RN: 14363-14-5
- Product Code: SSC-055011
-
ZINC ACETYLACETONATE HYDRATE
- CAS RN: 14363-15-6
- Product Code: starshine_CAS14363-15-6
- Purity/Analytical method: >99.0%
-
![CAS 14362-12-0 2,2′-methylenebis[4,6-di-tert-butylphenol] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/14362-12-0.gif)
