CAS RN: 108233-37-0
BOC-NVA-OSU
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.20260312 | 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS108233-37-0
- Purity/Analytical Methods: >99.0%
108233-37-0 / (2,5-dioxopyrrolidin-1-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
Boc-D-norvaline N-hydroxysuccinimide ester | 2,5-dioxopyrrolidin-1-yl (2S)-2-{[(tert-butoxy)carbonyl]amino}pentanoate | SCHEMBL12712551
Basic Information
CAS
108233-37-0
Multi CAS
Yes
Molecular Formula
C14H22N2O6
Molecular Weight
314.330000
Exact Mass
314.147786
SMILES
CCC[C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H22N2O6/c1-5-6-9(15-13(20)21-14(2,3)4)12(19)22-16-10(17)7-8-11(16)18/h9H,5-8H2,1-4H3,(H,15,20)/t9-/m0/s1
InChIKey
HXITWUZZHINTOM-VIFPVBQESA-N
Synonyms
Boc-D-norvaline N-hydroxysuccinimide ester
2,5-dioxopyrrolidin-1-yl (2S)-2-{[(tert-butoxy)carbonyl]amino}pentanoate
SCHEMBL12712551
Boc-L-norvaline N-hydroxysuccinimide ester
(2,5-dioxopyrrolidin-1-yl) 2-(tert-butoxycarbonylamino)pentanoate
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
75.24
TPSA
102.01
LogP / Solubility
WLOGP
1.29
MLOGP
1.15
XLogP3
1.2
Consensus LogP
1.21
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly 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
No
Log Kp (skin permeation)
-3.72
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
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