CAS RN: 1150697-96-3
(R)-N-Boc-2-(4′-pentenyl)glycine
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.20250728 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1150697-96-3
- Purity/Analytical Methods: >99.0%
1150697-96-3 / (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-enoic acid
2-tert-Butyloxycarbonylamino-5-heptenoic Acid | 2-(Boc-amino)-6-heptenoic acid | 2-{[(tert-butoxy)carbonyl]amino}hept-6-enoic acid
Basic Information
CAS
1150697-96-3
Multi CAS
Yes
Molecular Formula
C12H21NO4
Molecular Weight
243.300000
Exact Mass
243.147058
SMILES
CC(C)(C)OC(=O)N[C@H](CCCC=C)C(=O)O
InChI
InChI=1S/C12H21NO4/c1-5-6-7-8-9(10(14)15)13-11(16)17-12(2,3)4/h5,9H,1,6-8H2,2-4H3,(H,13,16)(H,14,15)/t9-/m1/s1
InChIKey
WPKPUPUWFHDYRR-SECBINFHSA-N
Synonyms
2-tert-Butyloxycarbonylamino-5-heptenoic Acid
2-(Boc-amino)-6-heptenoic acid
2-{[(tert-butoxy)carbonyl]amino}hept-6-enoic acid
2-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-enoic acid
MFCD15530326
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.84
TPSA
75.63
LogP / Solubility
WLOGP
2.32
MLOGP
2.05
XLogP3
2.4
Consensus LogP
2.26
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
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
2
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