CAS RN: 881683-81-4
(S)-ethyl 2-(tert-butoxycarbonylamino)non-8-enoate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250616 | 200mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS881683-81-4
- Purity/Analytical Methods: >99.0%
881683-81-4 / ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoate
Basic Information
CAS
881683-81-4
Multi CAS
Yes
Molecular Formula
C16H29NO4
Molecular Weight
299.410000
Exact Mass
299.209658
InChI
InChI=1S/C16H29NO4/c1-6-8-9-10-11-12-13(14(18)20-7-2)17-15(19)21-16(3,4)5/h6,13H,1,7-12H2,2-5H3,(H,17,19)/t13-/m0/s1
InChIKey
OBCVBWAIDBESKO-ZDUSSCGKSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.75
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
83.07
TPSA
64.63
LogP / Solubility
WLOGP
3.58
MLOGP
3.16
XLogP3
4.2
Consensus LogP
3.65
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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