CAS RN: 342616-69-7
Cyclobutanecarboxylic acid, 3-methoxy-, methyl ester (9CI)
- Product code: SSC-140543
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 |
342616-69-7 / methyl 3-methoxycyclobutane-1-carboxylate
Basic Information
CAS
342616-69-7
Multi CAS
No
Molecular Formula
C7H12O3
Molecular Weight
144.170000
Exact Mass
144.078644
InChI
InChI=1S/C7H12O3/c1-9-6-3-5(4-6)7(8)10-2/h5-6H,3-4H2,1-2H3
InChIKey
SQPLYJVVTLZLHA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
35.54
TPSA
35.53
LogP / Solubility
WLOGP
0.58
MLOGP
0.51
XLogP3
0.5
Consensus LogP
0.53
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
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)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
Tenofovir Related Compound 1
- CAS RN: 342631-41-8
- Product Code: starshine_CAS342631-41-8
- Purity/Analytical method: >99.0%
-
-
