![CAS 942939-99-3 N-[(1R,2R)-2-(1-pyrrolidinyl)cyclohexyl]-N’-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-Thiourea molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/942939-99-3.gif)
CAS RN: 942939-99-3
N-[(1R,2R)-2-(1-pyrrolidinyl)cyclohexyl]-N’-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-Thiourea
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.20250913 | 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS942939-99-3
- Purity/Analytical Methods: >99.0%
942939-99-3 / [3,4,5-triacetyloxy-6-[(2-pyrrolidin-1-ylcyclohexyl)carbamothioylamino]oxan-2-yl]methyl acetate
Basic Information
CAS
942939-99-3
Multi CAS
Yes
Molecular Formula
C25H39N3O9S
Molecular Weight
557.700000
Exact Mass
557.240701
InChI
InChI=1S/C25H39N3O9S/c1-14(29)33-13-20-21(34-15(2)30)22(35-16(3)31)23(36-17(4)32)24(37-20)27-25(38)26-18-9-5-6-10-19(18)28-11-7-8-12-28/h18-24H,5-13H2,1-4H3,(H2,26,27,38)
InChIKey
QTWSSJFYKFDQAA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Fraction Csp3
0.8
Rotatable bonds
8
H-bond acceptors
11
H-bond donors
2
Molar refractivity
137.68
TPSA
141.73
LogP / Solubility
WLOGP
0.94
MLOGP
0.87
XLogP3
1.4
Consensus LogP
1.07
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.45
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
7.5
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