CAS RN: 375855-08-6
5-Methyl-3-heptyl Acetate
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.20250225 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTA1379
- Purity/Analytical Methods: >95.0%(GC)
375855-08-6 / 5-methylheptan-3-yl acetate
Basic Information
CAS
375855-08-6
Multi CAS
No
Molecular Formula
C10H20O2
Molecular Weight
172.260000
Exact Mass
172.146330
InChI
InChI=1S/C10H20O2/c1-5-8(3)7-10(6-2)12-9(4)11/h8,10H,5-7H2,1-4H3
InChIKey
KCEXFYWUSJAMSL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.9
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
49.92
TPSA
26.3
LogP / Solubility
WLOGP
2.76
MLOGP
2.43
XLogP3
3.3
Consensus LogP
2.83
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.67
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)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
