![CAS 170985-85-0 2-[(1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl]hydrazinecarboxaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/s855667.gif)
CAS RN: 170985-85-0
2-[(1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl]hydrazinecarboxaldehyde
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.20250921 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINS855667
170985-85-0 / N-[[(2S,3S)-2-phenylmethoxypentan-3-yl]amino]formamide
Basic Information
CAS
170985-85-0
Multi CAS
No
Molecular Formula
C13H20N2O2
Molecular Weight
236.310000
Exact Mass
236.152478
SMILES
CC[C@@H]([C@H](C)OCC1=CC=CC=C1)NNC=O
InChI
InChI=1S/C13H20N2O2/c1-3-13(15-14-10-16)11(2)17-9-12-7-5-4-6-8-12/h4-8,10-11,13,15H,3,9H2,1-2H3,(H,14,16)/t11-,13-/m0/s1
InChIKey
LNEGZKZTVLXZFX-AAEUAGOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
2
Molar refractivity
67.11
TPSA
50.36
LogP / Solubility
WLOGP
1.62
MLOGP
1.43
XLogP3
2.1
Consensus LogP
1.72
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.5
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)
-3.01
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
2.5
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