CAS RN: 6282-06-0
N-n-Octylformamide
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-172172
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: 5g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 5g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
6282-06-0 / N-octylformamide
Basic Information
CAS
6282-06-0
Multi CAS
Yes
Molecular Formula
C9H19NO
Molecular Weight
157.250000
Exact Mass
157.146664
InChI
InChI=1S/C9H19NO/c1-2-3-4-5-6-7-8-10-9-11/h9H,2-8H2,1H3,(H,10,11)
InChIKey
ZBWPKQRQZDZVSF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.89
Rotatable bonds
8
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.44
TPSA
29.1
LogP / Solubility
WLOGP
2.09
MLOGP
1.84
XLogP3
3
Consensus LogP
2.31
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.38
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)
-2.19
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
