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CAS 151953-64-9 (3R,5S)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)pyrrolidin-3-ol molecular structure lightbox
CAS RN: 151953-64-9

(3R,5S)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)pyrrolidin-3-ol

  • Product code: SSC-061751
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 25g, 0.1g, 0.25g, 1g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 7
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 151953-64-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 2 In Stock Shanghai Inquiry
10g >95% 2 In Stock Shenzhen Inquiry
25g >95% 2 In Stock Beijing Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
100g >95% 1 In Stock Hong Kong Inquiry

151953-64-9 / (3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]pyrrolidin-3-ol

Standard CAS: 151953-64-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
151953-64-9
Multi CAS
No
Molecular Formula
C26H29NO4
Molecular Weight
419.500000
Exact Mass
419.209658
SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4C[C@H](CN4)O
InChI
InChI=1S/C26H29NO4/c1-29-24-12-8-20(9-13-24)26(19-6-4-3-5-7-19,21-10-14-25(30-2)15-11-21)31-18-22-16-23(28)17-27-22/h3-15,22-23,27-28H,16-18H2,1-2H3/t22-,23+/m0/s1
InChIKey
CJFYBUJBXCVKLN-XZOQPEGZSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.31
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
120.68
TPSA
59.95

LogP / Solubility

WLOGP
3.74
MLOGP
3.31
XLogP3
3.8
Consensus LogP
3.62
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.45
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)
-2.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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