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 | Beijing | Inquiry |
2360931-42-4 / 3,3-dimethoxycyclobutane-1-carboxamide
Basic Information
CAS
2360931-42-4
Multi CAS
No
Molecular Formula
C7H13NO3
Molecular Weight
159.180000
Exact Mass
159.089543
SMILES
COC1(CC(C1)C(=O)N)OC
InChI
InChI=1S/C7H13NO3/c1-10-7(11-2)3-5(4-7)6(8)9/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKey
DHHVXSMXSNLXLD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.67
TPSA
61.55
LogP / Solubility
WLOGP
-0.13
MLOGP
-0.12
XLogP3
-0.7
Consensus LogP
-0.32
Log S (ESOL)
-0.55
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very 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)
-3.78
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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INDEX NAME NOT YET ASSIGNED
- CAS RN: 2361262-51-1
- Product Code: starshine_CAS2361262-51-1
- Purity/Analytical method: >99.0%
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