CAS RN: 66933-69-5
4-PYRROLIDIN-1-YLPYRIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE
- Product code: SSC-176596
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 | Hong Kong | Inquiry |
66933-69-5 / 4-pyrrolidin-1-ylpyridine-2-carboxylic acid
Basic Information
CAS
66933-69-5
Multi CAS
Yes
Molecular Formula
C10H12N2O2
Molecular Weight
192.210000
Exact Mass
192.089878
InChI
InChI=1S/C10H12N2O2/c13-10(14)9-7-8(3-4-11-9)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,13,14)
InChIKey
BFBSDJMGXPOZJS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.64
TPSA
53.43
LogP / Solubility
WLOGP
1.38
MLOGP
1.21
XLogP3
1.3
Consensus LogP
1.3
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately 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)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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