CAS RN: 493024-40-1
METHYL 3-(AMINOMETHYL)BENZOATE HYDROCHLORIDE
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.20250728 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-155649
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: ≥97%
- 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 | ≥97% | 0 Out of Stock | Beijing | Inquiry |
493024-40-1 / 2-(4-fluorophenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
Basic Information
CAS
493024-40-1
Multi CAS
No
Molecular Formula
C13FH14N3O
Molecular Weight
247.270000
Exact Mass
247.112090
InChI
InChI=1S/C13H14FN3O/c14-11-3-1-9(2-4-11)12-16-17-13(18-12)10-5-7-15-8-6-10/h1-4,10,15H,5-8H2
InChIKey
OCVSOAJAJMMNGN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.54
TPSA
50.95
LogP / Solubility
WLOGP
2.34
MLOGP
2.07
XLogP3
1.7
Consensus LogP
2.04
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
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
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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