![CAS 598-05-0 Dipropyl Sulfate [Alkylating Agent] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d1638-jpgcontextbwfzdgvyfhjvb3r8mjg2mtf8aw1hz2uvanblz3xoywyvade0lzg5mjk5mdkwmtq1ntgvrde2mzguanbnfgm0ztnkm2izyze4yzy3mti5ntq5mjjlnmyzmzhknta0mwuynmvhzwi3m2fin2jjmzk5ymvhntnjztkynwe1mzc.jpeg)
CAS RN: 598-05-0
Dipropyl Sulfate [Alkylating Agent]
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock1 grade group
- Product code: ICTD1638
- Purity/Analytical Methods: >90.0%(GC)
598-05-0 / dipropyl sulfate
Basic Information
CAS
598-05-0
Multi CAS
Yes
Molecular Formula
C6H14O4S
Molecular Weight
182.240000
Exact Mass
182.061280
InChI
InChI=1S/C6H14O4S/c1-3-5-9-11(7,8)10-6-4-2/h3-6H2,1-2H3
InChIKey
JYCKNDWZDXGNBW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
41.41
TPSA
52.6
LogP / Solubility
WLOGP
1.08
MLOGP
0.95
XLogP3
1.5
Consensus LogP
1.18
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.46
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)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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