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CAS 143878-86-8 (2S,3S)-carboxylic acid methyl ester molecular structure lightbox
CAS RN: 143878-86-8

(2S,3S)-carboxylic acid methyl ester

  • Product code: SSC-055159
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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 143878-86-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

143878-86-8 / methyl (2S,3S)-2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylate

Standard CAS: 143878-86-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
143878-86-8
Multi CAS
No
Molecular Formula
C15H21NO2
Molecular Weight
247.330000
Exact Mass
247.157229
SMILES
C[C@H]1[C@H](CCN1[C@@H](C)C2=CC=CC=C2)C(=O)OC
InChI
InChI=1S/C15H21NO2/c1-11(13-7-5-4-6-8-13)16-10-9-14(12(16)2)15(17)18-3/h4-8,11-12,14H,9-10H2,1-3H3/t11-,12-,14-/m0/s1
InChIKey
QVKPXSULPYUNBF-OBJOEFQTSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
71.15
TPSA
29.54

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
2.6
Consensus LogP
2.52
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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