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CAS 352535-00-3 (R)-(+)-2-(FLUORODIPHENYLMETHYL)PYRROLI& molecular structure lightbox
CAS RN: 352535-00-3

(R)-(+)-2-(FLUORODIPHENYLMETHYL)PYRROLI&

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251118 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS352535-00-3
  • Purity/Analytical Methods: >99.0%
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352535-00-3 / 2-[fluoro(diphenyl)methyl]pyrrolidine

Standard CAS: 352535-00-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
352535-00-3
Multi CAS
Yes
Molecular Formula
C17FH18N
Molecular Weight
255.330000
Exact Mass
255.142328
InChI
InChI=1S/C17H18FN/c18-17(16-12-7-13-19-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,19H,7,12-13H2/t16-/m1/s1
InChIKey
PGKMVPFJFKOUDA-MRXNPFEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
75.8
TPSA
12.03

LogP / Solubility

WLOGP
3.65
MLOGP
3.22
XLogP3
3.7
Consensus LogP
3.52
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68

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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