CAS RN: 69763-25-3
2-CHLORO-N-CYCLOHEX-1-EN-1-YL-N-(2-FURYLMETHYL)ACETAMIDE
- Product code: SSC-179514
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
69763-25-3 / 2-chloro-N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)acetamide
Basic Information
CAS
69763-25-3
Multi CAS
No
Molecular Formula
C13H16CLNO2
Molecular Weight
253.720000
Exact Mass
253.086956
InChI
InChI=1S/C13H16ClNO2/c14-9-13(16)15(10-12-7-4-8-17-12)11-5-2-1-3-6-11/h4-5,7-8H,1-3,6,9-10H2
InChIKey
CUJHWGHOOWLPIJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
66.53
TPSA
33.45
LogP / Solubility
WLOGP
3.3
MLOGP
2.91
XLogP3
2.6
Consensus LogP
2.94
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
4-(3′,4′-dimethoxyphenyl)but-3-en-1-ol
- CAS RN: 69768-97-4
- Product Code: starshine_CAS69768-97-4
- Purity/Analytical method: >99.0%
-
-
-
-
-
