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CAS 1187927-05-4 cis-2-Phenyl-pyrrolidine-3-carboxylic acid hydrochloride molecular structure lightbox
CAS RN: 1187927-05-4

cis-2-Phenyl-pyrrolidine-3-carboxylic acid hydrochloride

  • Product code: SSC-018774
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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 1187927-05-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1187927-05-4 / (2R,3S)-2-phenylpyrrolidine-3-carboxylic acid;hydrochloride

2-phenylpyrrolidine-3-carboxylic acid hydrochloride | RefChem:478237 | 830-907-4

Standard CAS: 1187927-05-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1187927-05-4
Multi CAS
Yes
Molecular Formula
C11H14ClNO2
Molecular Weight
227.690000
Exact Mass
227.071306
SMILES
C1CN[C@H]([C@H]1C(=O)O)C2=CC=CC=C2.Cl
InChI
InChI=1S/C11H13NO2.ClH/c13-11(14)9-6-7-12-10(9)8-4-2-1-3-5-8;/h1-5,9-10,12H,6-7H2,(H,13,14);1H
InChIKey
CLBXHARXLYHVIZ-UHFFFAOYSA-N
Synonyms
2-phenylpyrrolidine-3-carboxylic acid hydrochloride RefChem:478237 830-907-4 2-phenylpyrrolidine-3-carboxylic acid;hydrochloride CIS-2-PHENYL-PYRROLIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.18
TPSA
49.33

LogP / Solubility

WLOGP
1.84
MLOGP
1.63
XLogP3
1.84
Consensus LogP
1.77
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately 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)
-2.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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