CAS RN: 32685-93-1
SipeiMine-3β-D-glucoside
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: starshine_CAS32685-93-1
- Purity/Analytical Methods: >99.0%
32685-93-1 / (1R,2S,6S,9S,10S,11R,14S,15S,18S,20S,23R,24S)-10-hydroxy-6,10,23-trimethyl-20-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
Basic Information
CAS
32685-93-1
Multi CAS
Yes
Molecular Formula
C33H53NO8
Molecular Weight
591.800000
Exact Mass
591.377118
InChI
InChI=1S/C33H53NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-24,26-31,35,37-40H,4-15H2,1-3H3/t16-,17-,18+,19+,20-,21-,22-,23-,24+,26+,27-,28+,29-,30+,31+,32+,33-/m0/s1
InChIKey
DHQFYEJMFMYGCV-RRIRULBESA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Fraction Csp3
0.97
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
5
Molar refractivity
152.89
TPSA
139.92
LogP / Solubility
WLOGP
1.71
MLOGP
1.55
XLogP3
2.3
Consensus LogP
1.85
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
Customers Also Viewed
-
-
-
2-Pyrimidineacetonitrile, 4,6-dimethyl- (8CI,9CI)
- CAS RN: 32691-58-0
- Product Code: starshine_CAS32691-58-0
- Purity/Analytical method: >99.0%
-
-
(2R,3R,4R,5R)-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
- CAS RN: 32694-82-9
- Product Code: starshine_CAS32694-82-9
- Purity/Analytical method: >99.0%
-
2-(1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
- CAS RN: 32701-92-1
- Product Code: SSC-138351
![CAS 32694-82-9 (2R,3R,4R,5R)-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/32694-82-9.gif)
