CAS RN: 13343-98-1
1-(2-Methoxyethoxy) butane
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.20260607 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shandong | Inquiry |
- Product code: LINM905332
13343-98-1 / 1-(2-methoxyethoxy)butane
Basic Information
CAS
13343-98-1
Multi CAS
No
Molecular Formula
C7H16O2
Molecular Weight
132.200000
Exact Mass
132.115030
SMILES
CCCCOCCOC
InChI
InChI=1S/C7H16O2/c1-3-4-5-9-7-6-8-2/h3-7H2,1-2H3
InChIKey
XDFQEFFBRPGSMC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
37.6
TPSA
18.46
LogP / Solubility
WLOGP
1.45
MLOGP
1.27
XLogP3
1.2
Consensus LogP
1.31
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.44
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)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
1-(2-Hydroxyethyl)-2,3,3-trimethyl-3H-indol-1-ium bromide
- CAS RN: 29636-94-0
- Product Code: SSC-132662
-
1-(2-Hydroxy-5-methylphenyl)-3-phenylpropane-1,3-dione
- CAS RN: 29976-82-7
- Product Code: SSC-133490
-
1-(3,4-dimethylphenyl)-2,2,2-trifluoroethan-1-ol
- CAS RN: 220675-92-3
- Product Code: SSC-106177
-
(R)-1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
- CAS RN: 54417-53-7
- Product Code: SSC-162101
