CAS RN: 97885-44-4
BOC-LYS(TFA)-AMC
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.20260226 | 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS97885-44-4
- Purity/Analytical Methods: >99.0%
97885-44-4 / tert-butyl N-[(2S)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxo-6-[(2,2,2-trifluoroacetyl)amino]hexan-2-yl]carbamate
Basic Information
CAS
97885-44-4
Multi CAS
Yes
Molecular Formula
C23F3H28N3O6
Molecular Weight
499.500000
Exact Mass
499.193020
InChI
InChI=1S/C23H28F3N3O6/c1-13-11-18(30)34-17-12-14(8-9-15(13)17)28-19(31)16(29-21(33)35-22(2,3)4)7-5-6-10-27-20(32)23(24,25)26/h8-9,11-12,16H,5-7,10H2,1-4H3,(H,27,32)(H,28,31)(H,29,33)/t16-/m0/s1
InChIKey
UFFVNATYYXBMGO-INIZCTEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
10
Fraction Csp3
0.48
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
3
Molar refractivity
121.92
TPSA
126.74
LogP / Solubility
WLOGP
3.78
MLOGP
3.36
XLogP3
3.3
Consensus LogP
3.48
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.01
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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