CAS RN: 6948-01-2
N-(1-phenylethyl)formamide
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.20260112 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS6948-01-2
- Purity/Analytical Methods: >99.0%
6948-01-2 / N-(1-phenylethyl)formamide
Basic Information
CAS
6948-01-2
Multi CAS
Yes
Molecular Formula
C9H11NO
Molecular Weight
149.190000
Exact Mass
149.084064
InChI
InChI=1S/C9H11NO/c1-8(10-7-11)9-5-3-2-4-6-9/h2-8H,1H3,(H,10,11)
InChIKey
CDHCCWRMWKZBGE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.06
TPSA
29.1
LogP / Solubility
WLOGP
1.49
MLOGP
1.31
XLogP3
1.4
Consensus LogP
1.4
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.23
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)
-2.57
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
2
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