CAS RN: 39979-08-3
7-Aminoheptanoic acid methyl ester
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.20260309 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS39979-08-3
- Purity/Analytical Methods: >99.0%
39979-08-3 / methyl 7-aminoheptanoate
Basic Information
CAS
39979-08-3
Multi CAS
No
Molecular Formula
C8H17NO2
Molecular Weight
159.230000
Exact Mass
159.125929
InChI
InChI=1S/C8H17NO2/c1-11-8(10)6-4-2-3-5-7-9/h2-7,9H2,1H3
InChIKey
AZRQWZVPEAHOOA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.16
TPSA
52.32
LogP / Solubility
WLOGP
1.07
MLOGP
0.94
XLogP3
-0.4
Consensus LogP
0.54
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.3
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)
-2.93
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
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