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CAS 214398-99-9 (S)-1-(2-Chloroacetyl)pyrrolidine-2-carboxaMide molecular structure lightbox
CAS RN: 214398-99-9

(S)-1-(2-Chloroacetyl)pyrrolidine-2-carboxaMide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260428 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-102798
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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: 5g
  • 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 214398-99-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

214398-99-9 / (2S)-1-(2-chloroacetyl)pyrrolidine-2-carboxamide

Standard CAS: 214398-99-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214398-99-9
Multi CAS
No
Molecular Formula
C7H11ClN2O2
Molecular Weight
190.630000
Exact Mass
190.050905
SMILES
C1C[C@H](N(C1)C(=O)CCl)C(=O)N
InChI
InChI=1S/C7H11ClN2O2/c8-4-6(11)10-3-1-2-5(10)7(9)12/h5H,1-4H2,(H2,9,12)/t5-/m0/s1
InChIKey
YKDRUBGIBPCRBH-YFKPBYRVSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.65
TPSA
63.4

LogP / Solubility

WLOGP
-0.3
MLOGP
-0.26
XLogP3
-0.7
Consensus LogP
-0.42
Log S (ESOL)
-0.7
Class (ESOL)
Very soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.89
Class (SILICOS-IT)
Very 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)
-4.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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