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CAS 1187933-24-9 (2R,3R)-rel-1,3-Piperidinedicarboxylic acid, 2-methyl-, 1-(phenylmethyl) ester molecular structure lightbox
CAS RN: 1187933-24-9

(2R,3R)-rel-1,3-Piperidinedicarboxylic acid, 2-methyl-, 1-(phenylmethyl) ester

  • Product code: SSC-018877
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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 1187933-24-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1187933-24-9 / (2R,3R)-2-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid

MFCD04114949 | 2S,3S-1-CBZ-2-METHYL-PIPERIDINE-3-CARBOXYLIC ACID | (2S,3S)-1-Benzyloxycarbonyl-2-methyl-piperidine-3-carboxylic acid

Standard CAS: 1187933-24-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1187933-24-9
Multi CAS
Yes
Molecular Formula
C15H19NO4
Molecular Weight
277.310000
Exact Mass
277.131408
SMILES
C[C@@H]1[C@@H](CCCN1C(=O)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C15H19NO4/c1-11-13(14(17)18)8-5-9-16(11)15(19)20-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,17,18)/t11-,13-/m1/s1
InChIKey
QQCOVXZKKNSHFI-DGCLKSJQSA-N
Synonyms
MFCD04114949 2S,3S-1-CBZ-2-METHYL-PIPERIDINE-3-CARBOXYLIC ACID (2S,3S)-1-Benzyloxycarbonyl-2-methyl-piperidine-3-carboxylic acid (2S,3S)-1-Cbz-2-methyl-piperidine-3-carboxylic acid (2S,3S)-1-((Benzyloxy)carbonyl)-2-methylpiperidine-3-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.15
TPSA
66.84

LogP / Solubility

WLOGP
2.51
MLOGP
2.22
XLogP3
2.1
Consensus LogP
2.28
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
Class (SILICOS-IT)
Poorly 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)
-2.63

Drug-likeness / Medicinal Chemistry

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

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