CAS RN: 1860012-47-0
CIS-4-METHOXY-1-METHYL-L-PROLINE HCL
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.20250918 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1860012-47-0
- Purity/Analytical Methods: >99.0%
1860012-47-0 / (2S,4S)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
Basic Information
CAS
1860012-47-0
Multi CAS
No
Molecular Formula
C7H14ClNO3
Molecular Weight
195.640000
Exact Mass
195.066221
SMILES
CN1C[C@H](C[C@H]1C(=O)O)OC.Cl
InChI
InChI=1S/C7H13NO3.ClH/c1-8-4-5(11-2)3-6(8)7(9)10;/h5-6H,3-4H2,1-2H3,(H,9,10);1H/t5-,6-;/m0./s1
InChIKey
HBOAHGNESDTECM-GEMLJDPKSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.72
TPSA
49.77
LogP / Solubility
WLOGP
0.21
MLOGP
0.19
XLogP3
0.21
Consensus LogP
0.2
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
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)
-3.76
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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