CAS RN: 40298-25-7
N-ME-PHE-OBZL P-TOSYLATE
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.20250430 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS40298-25-7
- Purity/Analytical Methods: >99.0%
40298-25-7 / benzyl (2S)-2-(methylamino)-3-phenylpropanoate;4-methylbenzenesulfonic acid
Basic Information
CAS
40298-25-7
Multi CAS
Yes
Molecular Formula
C24H27NO5S
Molecular Weight
441.500000
Exact Mass
441.160994
InChI
InChI=1S/C17H19NO2.C7H8O3S/c1-18-16(12-14-8-4-2-5-9-14)17(19)20-13-15-10-6-3-7-11-15;1-6-2-4-7(5-3-6)11(8,9)10/h2-11,16,18H,12-13H2,1H3;2-5H,1H3,(H,8,9,10)/t16-;/m0./s1
InChIKey
TUDJZSODAYRPLC-NTISSMGPSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
120.23
TPSA
92.7
LogP / Solubility
WLOGP
3.8
MLOGP
3.37
XLogP3
3.8
Consensus LogP
3.66
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.53
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.71
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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