CAS RN: 1381929-14-1
(R)-2-(o-Tolyl)pyrrolidine hydrochloride
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.20260504 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1381929-14-1
- Purity/Analytical Methods: >99.0%
1381929-14-1 / (2R)-2-(2-methylphenyl)pyrrolidine;hydrochloride
Basic Information
CAS
1381929-14-1
Multi CAS
No
Molecular Formula
C11H16ClN
Molecular Weight
197.700000
Exact Mass
197.097127
SMILES
CC1=CC=CC=C1[C@H]2CCCN2.Cl
InChI
InChI=1S/C11H15N.ClH/c1-9-5-2-3-6-10(9)11-7-4-8-12-11;/h2-3,5-6,11-12H,4,7-8H2,1H3;1H/t11-;/m1./s1
InChIKey
HNRKKCHTNWTYLS-RFVHGSKJSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.4
TPSA
12.03
LogP / Solubility
WLOGP
2.84
MLOGP
2.5
XLogP3
2.84
Consensus LogP
2.73
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
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)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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