CAS RN: 173724-95-3
(1S,3S)-phenylethylpyrrolidinylMethanol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260223 | 100mg / 250mg | Confirm by inquiry | Shandong | Inquiry |
- Product code: SSC-076278
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 | Shenzhen | Inquiry |
173724-95-3 / [(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanol
Basic Information
CAS
173724-95-3
Multi CAS
No
Molecular Formula
C13H19NO
Molecular Weight
205.300000
Exact Mass
205.146664
SMILES
C[C@@H](C1=CC=CC=C1)N2CC[C@@H](C2)CO
InChI
InChI=1S/C13H19NO/c1-11(13-5-3-2-4-6-13)14-8-7-12(9-14)10-15/h2-6,11-12,15H,7-10H2,1H3/t11-,12-/m0/s1
InChIKey
RQTYGPRJDFTUGU-RYUDHWBXSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.62
TPSA
23.47
LogP / Solubility
WLOGP
2.06
MLOGP
1.82
XLogP3
1.9
Consensus LogP
1.93
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly 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)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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