![CAS 716329-42-9 D-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-, hydrazide (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/716329-42-9.gif)
CAS RN: 716329-42-9
D-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-, hydrazide (9CI)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250315 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS716329-42-9
- Purity/Analytical Methods: >99.0%
716329-42-9 / tert-butyl N-(1-hydrazinyl-1-oxopropan-2-yl)carbamate
Basic Information
CAS
716329-42-9
Multi CAS
Yes
Molecular Formula
C8H17N3O3
Molecular Weight
203.240000
Exact Mass
203.126991
InChI
InChI=1S/C8H17N3O3/c1-5(6(12)11-9)10-7(13)14-8(2,3)4/h5H,9H2,1-4H3,(H,10,13)(H,11,12)/t5-/m1/s1
InChIKey
FRNDCHOMCRLCJX-RXMQYKEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
51.16
TPSA
93.45
LogP / Solubility
WLOGP
-0.11
MLOGP
-0.1
XLogP3
-0.1
Consensus LogP
-0.1
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.13
Class (SILICOS-IT)
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)
-4.04
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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