CAS RN: 5874-73-7
tert-butyloxycarbonyl-leucylphenylalanine methyl ester
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.20250703 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5874-73-7
- Purity/Analytical Methods: >99.0%
5874-73-7 / methyl (2S)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenylpropanoate
Basic Information
CAS
5874-73-7
Multi CAS
Yes
Molecular Formula
C21H32N2O5
Molecular Weight
392.500000
Exact Mass
392.231122
InChI
InChI=1S/C21H32N2O5/c1-14(2)12-16(23-20(26)28-21(3,4)5)18(24)22-17(19(25)27-6)13-15-10-8-7-9-11-15/h7-11,14,16-17H,12-13H2,1-6H3,(H,22,24)(H,23,26)/t16-,17-/m0/s1
InChIKey
VSHDSIZCAIEPCM-IRXDYDNUSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
106.71
TPSA
93.73
LogP / Solubility
WLOGP
2.83
MLOGP
2.51
XLogP3
3.6
Consensus LogP
2.98
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
Class (SILICOS-IT)
Slightly soluble
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)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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2,5-DI-TERT-BUTYLPHENOL
- CAS RN: 5875-45-6
- Product Code: starshine_CAS5875-45-6
- Purity/Analytical method: >99.0%
