[email protected]
CAS 4909-78-8 N,N-Dimethylformamide Dineopentyl Acetal [for Esterification] molecular structure lightbox
CAS RN: 4909-78-8

N,N-Dimethylformamide Dineopentyl Acetal [for Esterification]

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250109 1ml In stock Inquiry
Batchno.20251021 5ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250324 1ml / 5ml Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: ICTD1595
  • Purity/Analytical Methods: >96.0%(GC)
GET A QUOTE

4909-78-8 / 1,1-bis(2,2-dimethylpropoxy)-N,N-dimethylmethanamine

Standard CAS: 4909-78-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4909-78-8
Multi CAS
Yes
Molecular Formula
C13H29NO2
Molecular Weight
231.370000
Exact Mass
231.219829
InChI
InChI=1S/C13H29NO2/c1-12(2,3)9-15-11(14(7)8)16-10-13(4,5)6/h11H,9-10H2,1-8H3
InChIKey
KEXFRBIOHPDZQM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
68.29
TPSA
21.7

LogP / Solubility

WLOGP
2.96
MLOGP
2.61
XLogP3
3.7
Consensus LogP
3.09
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03

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

Customers Also Viewed

Get In Touch

Contact Us