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CAS 1111640-60-8 Ethyl 1-Cbz-3-fluoropiperidine-3-carboxylate molecular structure lightbox
CAS RN: 1111640-60-8

Ethyl 1-Cbz-3-fluoropiperidine-3-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250517 1g Out of stock 15 business days Inquiry
  • Product code: SSC-012034
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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 1111640-60-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1111640-60-8 / 1-O-benzyl 3-O-ethyl 3-fluoropiperidine-1,3-dicarboxylate

Ethyl 1-Cbz-3-fluoropiperidine-3-carboxylate | 1-Benzyl 3-ethyl 3-fluoropiperidine-1,3-dicarboxylate | MFCD21641307

Standard CAS: 1111640-60-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1111640-60-8
Multi CAS
No
Molecular Formula
C16H20FNO4
Molecular Weight
309.330000
Exact Mass
309.137636
SMILES
CCOC(=O)C1(CCCN(C1)C(=O)OCC2=CC=CC=C2)F
InChI
InChI=1S/C16H20FNO4/c1-2-21-14(19)16(17)9-6-10-18(12-16)15(20)22-11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3
InChIKey
MNEPWJSXJMBERP-UHFFFAOYSA-N
Synonyms
Ethyl 1-Cbz-3-fluoropiperidine-3-carboxylate 1-Benzyl 3-ethyl 3-fluoropiperidine-1,3-dicarboxylate MFCD21641307 1-O-benzyl 3-O-ethyl 3-fluoropiperidine-1,3-dicarboxylate 3-ethyl 1-(phenylmethyl) 3-fluoro-1,3-piperidinedicarboxylate

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
77.91
TPSA
55.84

LogP / Solubility

WLOGP
2.69
MLOGP
2.38
XLogP3
2.6
Consensus LogP
2.56
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
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)
-2.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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