CAS RN: 637355-27-2
L-Proline, 5-(2-propenyl)-, methyl ester (9CI)
- Product code: SSC-173502
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 |
637355-27-2 / methyl 5-prop-2-enylpyrrolidine-2-carboxylate
Basic Information
CAS
637355-27-2
Multi CAS
Yes
Molecular Formula
C9H15NO2
Molecular Weight
169.220000
Exact Mass
169.110279
InChI
InChI=1S/C9H15NO2/c1-3-4-7-5-6-8(10-7)9(11)12-2/h3,7-8,10H,1,4-6H2,2H3/t7?,8-/m0/s1
InChIKey
FQSPQHRWQMGKNA-MQWKRIRWSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.78
TPSA
38.33
LogP / Solubility
WLOGP
0.86
MLOGP
0.75
XLogP3
1.4
Consensus LogP
1
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
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)
-3.14
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
2.5
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