CAS RN: 42954-58-5
DANSYL-L-LEUCINE CYCLOHEXYLAMMONIUM SALT
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.20250108 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS42954-58-5
- Purity/Analytical Methods: >99.0%
42954-58-5 / cyclohexylazanium;(2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-methylpentanoate
Basic Information
CAS
42954-58-5
Multi CAS
Yes
Molecular Formula
C24H37N3O4S
Molecular Weight
463.600000
Exact Mass
463.250478
InChI
InChI=1S/C18H24N2O4S.C6H13N/c1-12(2)11-15(18(21)22)19-25(23,24)17-10-6-7-13-14(17)8-5-9-16(13)20(3)4;7-6-4-2-1-3-5-6/h5-10,12,15,19H,11H2,1-4H3,(H,21,22);6H,1-5,7H2/t15-;/m0./s1
InChIKey
KMKWMTLYBLHMGU-RSAXXLAASA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
10
Fraction Csp3
0.54
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
126.61
TPSA
117.18
LogP / Solubility
WLOGP
1.91
MLOGP
1.71
XLogP3
1.91
Consensus LogP
1.84
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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- Product Code: starshine_CAS42955-73-7
- Purity/Analytical method: >99.0%
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