CAS RN: 87425-34-1
spicatosideB
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260218 | 10mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS87425-34-1
- Purity/Analytical Methods: >99.0%
87425-34-1 / 2-methyl-6-[5',7,9,13-tetramethyl-14-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxane-3,4,5-triol
Basic Information
CAS
87425-34-1
Multi CAS
Yes
Molecular Formula
C39H62O12
Molecular Weight
722.900000
Exact Mass
722.424127
InChI
InChI=1S/C39H62O12/c1-17-9-12-39(46-16-17)18(2)28-26(51-39)15-25-23-8-7-21-13-22(49-35-33(44)31(42)29(40)19(3)47-35)14-27(38(21,6)24(23)10-11-37(25,28)5)50-36-34(45)32(43)30(41)20(4)48-36/h7,17-20,22-36,40-45H,8-16H2,1-6H3/t17-,18-,19-,20+,22+,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36-,37-,38-,39+/m0/s1
InChIKey
RMIQIULKBBCLIL-KJXSMTROSA-N
Computed Properties
Structural Parameters
Heavy atom count
51
Fraction Csp3
0.95
Rotatable bonds
4
H-bond acceptors
12
H-bond donors
6
Molar refractivity
181.53
TPSA
176.76
LogP / Solubility
WLOGP
2.39
MLOGP
2.16
XLogP3
2.5
Consensus LogP
2.35
Log S (ESOL)
-5.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.82
Class (SILICOS-IT)
Insoluble
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)
-5.43
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
-
-
-
Glepidotin B
- CAS RN: 87440-56-0
- Product Code: starshine_CAS87440-56-0
- Purity/Analytical method: >99.0%
-
6-Dehydroxy-8-hydroxygaleopsinolone
- CAS RN: 87440-66-2
- Product Code: starshine_CAS87440-66-2
- Purity/Analytical method: >99.0%
-
Viteralone
- CAS RN: 87440-75-3
- Product Code: starshine_CAS87440-75-3
- Purity/Analytical method: >99.0%
-
rel-(1R,2S)-2-Phenylcyclobutanecarboxylic acid
- CAS RN: 87442-58-8
- Product Code: SSC-197417
