CAS RN: 864825-19-4
(S)-benzyl 1-oxo-1-(2-oxo-2-phenylethylaMino)propan-2-ylcarbaMate
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260226 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS864825-19-4
- Purity/Analytical Methods: >99.0%
864825-19-4 / benzyl N-[(2S)-1-oxo-1-(phenacylamino)propan-2-yl]carbamate
Basic Information
CAS
864825-19-4
Multi CAS
Yes
Molecular Formula
C19H20N2O4
Molecular Weight
340.400000
Exact Mass
340.142307
InChI
InChI=1S/C19H20N2O4/c1-14(21-19(24)25-13-15-8-4-2-5-9-15)18(23)20-12-17(22)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,23)(H,21,24)/t14-/m0/s1
InChIKey
YWJXSRRTCSHUAU-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
93.01
TPSA
84.5
LogP / Solubility
WLOGP
2.3
MLOGP
2.04
XLogP3
2.6
Consensus LogP
2.31
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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