![CAS 36805-97-7 N,N-Dimethylformamide Di-tert-butyl Acetal [for Esterification] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d1303-jpgcontextbwfzdgvyfhjvb3r8mzc4mjj8aw1hz2uvanblz3xozdkvagezlzg5mjk4odk4mti1mtavrdezmdmuanbnfgjimzrjztrkzjcznzi4ntc5mjuwyjmyngi5nznhyte5n2vjyju0mjnlymnhntk5ywe0otqwmwflzme2nwi3yzk.jpeg)
CAS RN: 36805-97-7
N,N-Dimethylformamide Di-tert-butyl Acetal [for Esterification]
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251006 | 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: ICTD1303
- Purity/Analytical Methods: >98.0%(N)
36805-97-7 / N,N-dimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]methanamine
Basic Information
CAS
36805-97-7
Multi CAS
No
Molecular Formula
C11H25NO2
Molecular Weight
203.320000
Exact Mass
203.188529
InChI
InChI=1S/C11H25NO2/c1-10(2,3)13-9(12(7)8)14-11(4,5)6/h9H,1-8H3
InChIKey
DBNQIOANXZVWIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
59.15
TPSA
21.7
LogP / Solubility
WLOGP
2.46
MLOGP
2.17
XLogP3
2.2
Consensus LogP
2.28
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
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)
-2.21
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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