CAS RN: 2101775-05-5
Methyl (3R,4R)-4-methylpyrrolidine-3-carboxylate 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.20250529 | 100mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-099971
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 | Beijing | Inquiry |
2101775-05-5 / methyl (3R,4R)-4-methylpyrrolidine-3-carboxylate;hydrochloride
Basic Information
CAS
2101775-05-5
Multi CAS
No
Molecular Formula
C7H14ClNO2
Molecular Weight
179.640000
Exact Mass
179.071306
SMILES
C[C@H]1CNC[C@@H]1C(=O)OC.Cl
InChI
InChI=1S/C7H13NO2.ClH/c1-5-3-8-4-6(5)7(9)10-2;/h5-6,8H,3-4H2,1-2H3;1H/t5-,6-;/m0./s1
InChIKey
QKDDAMQXFDTTPL-GEMLJDPKSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.79
TPSA
38.33
LogP / Solubility
WLOGP
0.44
MLOGP
0.38
XLogP3
0.44
Consensus LogP
0.42
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
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)
-3.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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