CAS RN: 93395-31-4
“8β-(2-Hydroxy-2-Methyl-3-oxobutyryloxy)glucozaluzanin C”
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250208 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS93395-31-4
- Purity/Analytical Methods: >99.0%
93395-31-4 / [(3aR,4R,6aR,8S,9aR,9bR)-3,6,9-trimethylidene-2-oxo-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-hydroxy-2-methyl-3-oxobutanoate
Basic Information
CAS
93395-31-4
Multi CAS
Yes
Molecular Formula
C26H34O12
Molecular Weight
538.500000
Exact Mass
538.205027
InChI
InChI=1S/C26H34O12/c1-9-6-15(37-25(33)26(5,34)12(4)28)18-11(3)23(32)38-22(18)17-10(2)14(7-13(9)17)35-24-21(31)20(30)19(29)16(8-27)36-24/h13-22,24,27,29-31,34H,1-3,6-8H2,4-5H3
InChIKey
ZFRBQIGYWHKJRW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Fraction Csp3
0.65
Rotatable bonds
6
H-bond acceptors
12
H-bond donors
5
Molar refractivity
126.83
TPSA
189.28
LogP / Solubility
WLOGP
-1.33
MLOGP
-1.13
XLogP3
-1.2
Consensus LogP
-1.22
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.78
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.95
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
10
Customers Also Viewed
-
(Tert-Butoxy)Carbonyl Phe-D-Phe-OH
- CAS RN: 93397-22-9
- Product Code: starshine_CAS93397-22-9
- Purity/Analytical method: >99.0%
-
-
2-(BENZYLOXYCARBONYLAMINO)ETHYL 4-METHYLBENZENESULFONATE
- CAS RN: 93407-96-6
- Product Code: SSC-207599
-
(+)-3-[1-[Bis(4-hydroxyphenyl)methyl]-2-oxo-2-(2,4,6-trihydroxyphenyl)ethyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
- CAS RN: 93413-00-4
- Product Code: starshine_CAS93413-00-4
- Purity/Analytical method: >99.0%
-
S-VENLAFAXINE
- CAS RN: 93413-44-6
- Product Code: starshine_CAS93413-44-6
- Purity/Analytical method: >99.0%
-
Venlafaxine
- CAS RN: 93413-69-5
- Product Code: starshine_CAS93413-69-5
- Purity/Analytical method: >99.0%
![CAS 93413-00-4 (+)-3-[1-[Bis(4-hydroxyphenyl)methyl]-2-oxo-2-(2,4,6-trihydroxyphenyl)ethyl]-5,7-dihydroxy-4H-1-benzopyran-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/93413-00-4.gif)
