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CAS 103667-57-8 1-CBZ-4(R)-HYDROXYPYRROLIDINE-2-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 103667-57-8

1-CBZ-4(R)-HYDROXYPYRROLIDINE-2-CARBOXYLIC ACID ETHYL ESTER

  • Product code: SSC-005239
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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 103667-57-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

103667-57-8 / 1-O-benzyl 2-O-ethyl (4R)-4-hydroxypyrrolidine-1,2-dicarboxylate

1-BENZYL 2-ETHYL 4-HYDROXYPYRROLIDINE-1,2-DICARBOXYLATE | 1-Cbz-trans-4-Hydroxy-L-proline ethyl ester | 1-CBZ-4(R)-HYDROXYPYRROLIDINE-2-CARBOXYLIC ACID ETHYL ESTER

Standard CAS: 103667-57-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103667-57-8
Multi CAS
Yes
Molecular Formula
C15H19NO5
Molecular Weight
293.310000
Exact Mass
293.126323
SMILES
CCOC(=O)C1C[C@H](CN1C(=O)OCC2=CC=CC=C2)O
InChI
InChI=1S/C15H19NO5/c1-2-20-14(18)13-8-12(17)9-16(13)15(19)21-10-11-6-4-3-5-7-11/h3-7,12-13,17H,2,8-10H2,1H3/t12-,13?/m1/s1
InChIKey
FEPRPINUVNZMRY-PZORYLMUSA-N
Synonyms
1-BENZYL 2-ETHYL 4-HYDROXYPYRROLIDINE-1,2-DICARBOXYLATE 1-Cbz-trans-4-Hydroxy-L-proline ethyl ester 1-CBZ-4(R)-HYDROXYPYRROLIDINE-2-CARBOXYLIC ACID ETHYL ESTER O1-benzyl O2-ethyl 4-hydroxypyrrolidine-1,2-dicarboxylate

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
74.38
TPSA
76.07

LogP / Solubility

WLOGP
1.32
MLOGP
1.17
XLogP3
1.5
Consensus LogP
1.33
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
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)
-3.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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