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CAS 1392130-33-4 (R)-2-((2-(hydroxydiphenylmethyl)pyrrolidin-1-yl)methyl)-6-(trifluoromethyl)phenol molecular structure lightbox
CAS RN: 1392130-33-4

(R)-2-((2-(hydroxydiphenylmethyl)pyrrolidin-1-yl)methyl)-6-(trifluoromethyl)phenol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260609 50mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-049617
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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: ≥95%
  • 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 1392130-33-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1392130-33-4 / 2-[[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]-6-(trifluoromethyl)phenol

Standard CAS: 1392130-33-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1392130-33-4
Multi CAS
No
Molecular Formula
C25H24F3NO2
Molecular Weight
427.500000
Exact Mass
427.175913
SMILES
C1C[C@@H](N(C1)CC2=C(C(=CC=C2)C(F)(F)F)O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C25H24F3NO2/c26-25(27,28)21-14-7-9-18(23(21)30)17-29-16-8-15-22(29)24(31,19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-7,9-14,22,30-31H,8,15-17H2/t22-/m1/s1
InChIKey
PXTJYUCVGRMOBC-JOCHJYFZSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.28
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
112.42
TPSA
43.7

LogP / Solubility

WLOGP
5.31
MLOGP
4.7
XLogP3
5.2
Consensus LogP
5.07
Log S (ESOL)
-5.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.45
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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