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CAS 2135331-85-8 2-(2,6-DIFLUOROPHENYL)PYRROLIDINE HCL molecular structure lightbox
CAS RN: 2135331-85-8

2-(2,6-DIFLUOROPHENYL)PYRROLIDINE HCL

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250618 100mg In stock Shanghai Inquiry
Batchno.20251116 1g In stock Shanghai Inquiry
Batchno.20251124 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS2135331-85-8
  • Purity/Analytical Methods: >99.0%
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2135331-85-8 / 2-(2,6-difluorophenyl)pyrrolidine;hydrochloride

Standard CAS: 2135331-85-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2135331-85-8
Multi CAS
No
Molecular Formula
C10H12ClF2N
Molecular Weight
219.660000
Exact Mass
219.062633
SMILES
C1CC(NC1)C2=C(C=CC=C2F)F.Cl
InChI
InChI=1S/C10H11F2N.ClH/c11-7-3-1-4-8(12)10(7)9-5-2-6-13-9;/h1,3-4,9,13H,2,5-6H2;1H
InChIKey
IYHWYBGGVJBQCG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.58
TPSA
12.03

LogP / Solubility

WLOGP
2.81
MLOGP
2.48
XLogP3
2.81
Consensus LogP
2.7
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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)
-2.06

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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