CAS RN: 388071-27-0
ERYTHRO-N-BOC-L-3,5-DIFLUOROPHENYLALANINE EPOXIDE
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.20251201 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS388071-27-0
- Purity/Analytical Methods: >99.0%
388071-27-0 / tert-butyl N-[(1S)-2-(3,5-difluorophenyl)-1-[(2S)-oxiran-2-yl]ethyl]carbamate
Basic Information
CAS
388071-27-0
Multi CAS
Yes
Molecular Formula
C15F2H19NO3
Molecular Weight
299.310000
Exact Mass
299.133300
InChI
InChI=1S/C15H19F2NO3/c1-15(2,3)21-14(19)18-12(13-8-20-13)6-9-4-10(16)7-11(17)5-9/h4-5,7,12-13H,6,8H2,1-3H3,(H,18,19)/t12-,13+/m0/s1
InChIKey
NKGKCDXMOMAORK-QWHCGFSZSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.96
TPSA
50.86
LogP / Solubility
WLOGP
2.8
MLOGP
2.48
XLogP3
2.8
Consensus LogP
2.69
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
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