CAS RN: 85535-45-1
(S)-5-Amino-2-(tert-butoxycarbonylamino)-5-oxopentanoic acid
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.20260129 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS85535-45-1
- Purity/Analytical Methods: >99.0%
85535-45-1 / (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
Basic Information
CAS
85535-45-1
Multi CAS
Yes
Molecular Formula
C10H18N2O5
Molecular Weight
246.260000
Exact Mass
246.121572
InChI
InChI=1S/C10H18N2O5/c1-10(2,3)17-9(16)12-6(8(14)15)4-5-7(11)13/h6H,4-5H2,1-3H3,(H2,11,13)(H,12,16)(H,14,15)/t6-/m0/s1
InChIKey
VVNYDCGZZSTUBC-LURJTMIESA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.7
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
59.22
TPSA
118.72
LogP / Solubility
WLOGP
0.23
MLOGP
0.21
XLogP3
-0.2
Consensus LogP
0.08
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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