CAS RN: 693287-78-4
Hydrazinecarboxylic acid, (tetrahydro-4H-pyran-4-ylidene)-, 1,1-dimethylethyl
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.20260416 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS693287-78-4
- Purity/Analytical Methods: >99.0%
693287-78-4 / tert-butyl N-(oxan-4-ylideneamino)carbamate
Basic Information
CAS
693287-78-4
Multi CAS
No
Molecular Formula
C10H18N2O3
Molecular Weight
214.260000
Exact Mass
214.131742
InChI
InChI=1S/C10H18N2O3/c1-10(2,3)15-9(13)12-11-8-4-6-14-7-5-8/h4-7H2,1-3H3,(H,12,13)
InChIKey
QOEHTHNPTMRRLP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.86
TPSA
59.92
LogP / Solubility
WLOGP
1.68
MLOGP
1.48
XLogP3
0.7
Consensus LogP
1.29
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately 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)
-2.84
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
1.5
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