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CAS 207798-38-7 4-(4-FORMYL-PHENOXY)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 207798-38-7

4-(4-FORMYL-PHENOXY)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

  • Product code: SSC-097776
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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 207798-38-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

207798-38-7 / tert-butyl 4-(4-formylphenoxy)piperidine-1-carboxylate

Standard CAS: 207798-38-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207798-38-7
Multi CAS
No
Molecular Formula
C17H23NO4
Molecular Weight
305.400000
Exact Mass
305.162708
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)C=O
InChI
InChI=1S/C17H23NO4/c1-17(2,3)22-16(20)18-10-8-15(9-11-18)21-14-6-4-13(12-19)5-7-14/h4-7,12,15H,8-11H2,1-3H3
InChIKey
BSZYGTODZAFRDC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
83.29
TPSA
55.84

LogP / Solubility

WLOGP
3.28
MLOGP
2.9
XLogP3
2.8
Consensus LogP
2.99
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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