CAS RN: 84348-41-4
methyl(S)-4-methylenepyrrolidine-2-carboxylatehydrochloride
- Product code: SSC-191862
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 |
84348-41-4 / methyl 4-methylidenepyrrolidine-2-carboxylate;hydrochloride
Basic Information
CAS
84348-41-4
Multi CAS
Yes
Molecular Formula
C7H12CLNO2
Molecular Weight
177.630000
Exact Mass
177.055656
InChI
InChI=1S/C7H11NO2.ClH/c1-5-3-6(8-4-5)7(9)10-2;/h6,8H,1,3-4H2,2H3;1H/t6-;/m0./s1
InChIKey
ZJJKQHRENJKUJF-RGMNGODLSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.81
TPSA
38.33
LogP / Solubility
WLOGP
0.5
MLOGP
0.44
XLogP3
0.5
Consensus LogP
0.48
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.38
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)
-3.45
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
Customers Also Viewed
-
-
-
-
5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-one
- CAS RN: 84352-75-0
- Product Code: starshine_CAS84352-75-0
- Purity/Analytical method: >99.0%
-
-
