CAS RN: 40652-40-2
1-FORMAMIDO-1-CYCLOHEXENE
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.20260618 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS40652-40-2
- Purity/Analytical Methods: >99.0%
40652-40-2 / N-(cyclohexen-1-yl)formamide
Basic Information
CAS
40652-40-2
Multi CAS
No
Molecular Formula
C7H11NO
Molecular Weight
125.170000
Exact Mass
125.084064
InChI
InChI=1S/C7H11NO/c9-6-8-7-4-2-1-3-5-7/h4,6H,1-3,5H2,(H,8,9)
InChIKey
PMOWTTQUPBFWRL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.75
TPSA
29.1
LogP / Solubility
WLOGP
1.19
MLOGP
1.04
XLogP3
1.2
Consensus LogP
1.14
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
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)
-2.64
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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