CAS RN: 7675-57-2
N-2-NITROPHENYLSULFENYL-L-VALINE DICYCLOHEXYLAMMONIUM 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.20250219 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS7675-57-2
- Purity/Analytical Methods: >99.0%
7675-57-2 / dicyclohexylazanium;(2S)-3-methyl-2-[(2-nitrophenyl)sulfanylamino]butanoate
Basic Information
CAS
7675-57-2
Multi CAS
Yes
Molecular Formula
C23H37N3O4S
Molecular Weight
451.600000
Exact Mass
451.250478
InChI
InChI=1S/C12H23N.C11H14N2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(2)10(11(14)15)12-18-9-6-4-3-5-8(9)13(16)17/h11-13H,1-10H2;3-7,10,12H,1-2H3,(H,14,15)/t;10-/m.0/s1
InChIKey
PIXHCLWIWCGYKF-CICJTZRQSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
2
Molar refractivity
121.39
TPSA
111.91
LogP / Solubility
WLOGP
3.18
MLOGP
2.83
XLogP3
3.18
Consensus LogP
3.06
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.2
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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