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CAS 295328-85-7 (2S,5S)-2,5-DIPHENYLPYRROLIDINE molecular structure lightbox
CAS RN: 295328-85-7

(2S,5S)-2,5-DIPHENYLPYRROLIDINE

  • Product code: SSC-132472
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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: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 295328-85-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

295328-85-7 / (2S,5S)-2,5-diphenylpyrrolidine

Standard CAS: 295328-85-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
295328-85-7
Multi CAS
Yes
Molecular Formula
C16H17N
Molecular Weight
223.310000
Exact Mass
223.136100
InChI
InChI=1S/C16H17N/c1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15-,16-/m0/s1
InChIKey
NAOGHMNKMJMMNQ-HOTGVXAUSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
70.74
TPSA
12.03

LogP / Solubility

WLOGP
3.85
MLOGP
3.39
XLogP3
3.3
Consensus LogP
3.51
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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