CAS RN: 99281-50-2
ETH 1810
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.20250113 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS99281-50-2
- Purity/Analytical Methods: >99.0%
99281-50-2 / cis-(1R,2S)-2-N,2-N-di(butan-2-yl)-1-N,1-N-dicyclohexylcyclohexane-1,2-dicarboxamide
Basic Information
CAS
99281-50-2
Multi CAS
Yes
Molecular Formula
C28H50N2O2
Molecular Weight
446.700000
Exact Mass
446.387229
InChI
InChI=1S/C28H50N2O2/c1-5-21(3)29(22(4)6-2)27(31)25-19-13-14-20-26(25)28(32)30(23-15-9-7-10-16-23)24-17-11-8-12-18-24/h21-26H,5-20H2,1-4H3/t21?,22?,25-,26+/m0/s1
InChIKey
HEMVYQNWBJZPTO-BDBAHPOVSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Fraction Csp3
0.93
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
132.39
TPSA
40.62
LogP / Solubility
WLOGP
6.71
MLOGP
5.94
XLogP3
7
Consensus LogP
6.55
Log S (ESOL)
-6.31
Class (ESOL)
Insoluble
Log S (Ali)
-8.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.09
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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