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CAS 1381927-60-1 (S)-METHYL 3-(PYRROLIDIN-2-YL)BENZOATE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1381927-60-1

(S)-METHYL 3-(PYRROLIDIN-2-YL)BENZOATE HYDROCHLORIDE

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260407 100mg In stock Shanghai Inquiry
Batchno.20250930 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20250105 1g In stock Shanghai Inquiry
Batchno.20251118 250mg In stock Shanghai Inquiry
  • Product code: SSC-048125
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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: 0.25g
  • Available purity: ＞97%
  • 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 1381927-60-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

1381927-60-1 / methyl 3-[(2S)-pyrrolidin-2-yl]benzoate;hydrochloride

Standard CAS: 1381927-60-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1381927-60-1
Multi CAS
No
Molecular Formula
C12H16ClNO2
Molecular Weight
241.710000
Exact Mass
241.086956
SMILES
COC(=O)C1=CC=CC(=C1)[C@@H]2CCCN2.Cl
InChI
InChI=1S/C12H15NO2.ClH/c1-15-12(14)10-5-2-4-9(8-10)11-6-3-7-13-11;/h2,4-5,8,11,13H,3,6-7H2,1H3;1H/t11-;/m0./s1
InChIKey
VZRPGMINKNENCQ-MERQFXBCSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.01
TPSA
38.33

LogP / Solubility

WLOGP
2.32
MLOGP
2.05
XLogP3
2.32
Consensus LogP
2.23
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-2.55

Drug-likeness / Medicinal Chemistry

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

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