CAS RN: 934739-34-1
Karaviloside X
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.20260625 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS934739-34-1
- Purity/Analytical Methods: >99.0%
934739-34-1 / (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(1R,4S,5S,8R,9R,12S,13S,16S)-8-[(2S)-3-hydroxy-6-methyl-4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol
Basic Information
CAS
934739-34-1
Multi CAS
No
Molecular Formula
C42H68O14
Molecular Weight
797.000000
Exact Mass
796.460907
InChI
InChI=1S/C42H68O14/c1-20(2)16-23(53-36-34(50)32(48)30(46)24(17-43)54-36)29(45)21(3)22-10-12-40(7)26-11-13-42-27(41(26,19-52-42)15-14-39(22,40)6)8-9-28(38(42,4)5)56-37-35(51)33(49)31(47)25(18-44)55-37/h11,13,16,21-37,43-51H,8-10,12,14-15,17-19H2,1-7H3/t21-,22+,23?,24+,25+,26-,27-,28-,29?,30+,31+,32+,33+,34+,35+,36+,37-,39+,40-,41-,42+/m0/s1
InChIKey
UVPDCWZQGLOBOB-WZLYLOCQSA-N
Computed Properties
Structural Parameters
Heavy atom count
56
Fraction Csp3
0.9
Rotatable bonds
10
H-bond acceptors
14
H-bond donors
9
Molar refractivity
200.31
TPSA
228.22
LogP / Solubility
WLOGP
0.91
MLOGP
0.88
XLogP3
2.6
Consensus LogP
1.46
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.8
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)
-6.93
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
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