CAS RN: 1092108-78-5
3-(3,4-Dichlorophenyl)pyrrolidine
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.20250710 | 250mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1092108-78-5
- Purity/Analytical Methods: >99.0%
1092108-78-5 / 3-(3,4-dichlorophenyl)pyrrolidine
3-(3,4-DICHLOROPHENYL)PYRROLIDINE | MFCD12407012 | (3R)-3-(3,4-dichlorophenyl)pyrrolidine
Basic Information
CAS
1092108-78-5
Multi CAS
Yes
Molecular Formula
C10H11Cl2N
Molecular Weight
216.100000
Exact Mass
215.026855
SMILES
C1CNCC1C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H11Cl2N/c11-9-2-1-7(5-10(9)12)8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2
InChIKey
BZRNHMNSDPKKHM-UHFFFAOYSA-N
Synonyms
3-(3,4-DICHLOROPHENYL)PYRROLIDINE
MFCD12407012
(3R)-3-(3,4-dichlorophenyl)pyrrolidine
SCHEMBL1823096
SCHEMBL8350829
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.69
TPSA
12.03
LogP / Solubility
WLOGP
3.07
MLOGP
2.7
XLogP3
2.9
Consensus LogP
2.89
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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