![CAS 790232-10-9 Acetic acid, 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/790232-10-9.gif)
CAS RN: 790232-10-9
Acetic acid, 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]-
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.20250130 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS790232-10-9
- Purity/Analytical Methods: >99.0%
790232-10-9 / 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetic acid
Basic Information
CAS
790232-10-9
Multi CAS
No
Molecular Formula
C11H19NO3S
Molecular Weight
245.340000
Exact Mass
245.108565
InChI
InChI=1S/C11H19NO3S/c1-12(9-5-3-2-4-6-9)10(13)7-16-8-11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKey
OBHLBCSJXQBZAK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.6
TPSA
57.61
LogP / Solubility
WLOGP
1.6
MLOGP
1.41
XLogP3
1.8
Consensus LogP
1.6
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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