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CAS 324785-29-7 1-BOC-3-(4-CHLOROPHENYL)-3-HYDROXYPYRROLIDINE molecular structure lightbox
CAS RN: 324785-29-7

1-BOC-3-(4-CHLOROPHENYL)-3-HYDROXYPYRROLIDINE

  • Product code: SSC-138076
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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: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 324785-29-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Shenzhen Inquiry

324785-29-7 / tert-butyl 3-(4-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate

Standard CAS: 324785-29-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
324785-29-7
Multi CAS
No
Molecular Formula
C15H20CLNO3
Molecular Weight
297.780000
Exact Mass
297.113171
InChI
InChI=1S/C15H20ClNO3/c1-14(2,3)20-13(18)17-9-8-15(19,10-17)11-4-6-12(16)7-5-11/h4-7,19H,8-10H2,1-3H3
InChIKey
LXAPPWPHZGKHIP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
77.77
TPSA
49.77

LogP / Solubility

WLOGP
3.17
MLOGP
2.8
XLogP3
2.5
Consensus LogP
2.82
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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