CAS RN: 77420-98-5
Octanoic acid, 8-amino-, methyl ester, hydrochloride
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.20250824 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-186972
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
77420-98-5 / methyl 8-aminooctanoate;hydrochloride
Basic Information
CAS
77420-98-5
Multi CAS
No
Molecular Formula
C9H20CLNO2
Molecular Weight
209.710000
Exact Mass
209.118257
InChI
InChI=1S/C9H19NO2.ClH/c1-12-9(11)7-5-3-2-4-6-8-10;/h2-8,10H2,1H3;1H
InChIKey
DNMCSEZPFDMEHC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.02
TPSA
52.32
LogP / Solubility
WLOGP
1.88
MLOGP
1.66
XLogP3
1.88
Consensus LogP
1.81
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.42
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)
-2.66
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
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