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CAS 175153-38-5 Methyl 2-Chloro-4-(1-pyrrolidinyl)benzoate molecular structure lightbox
CAS RN: 175153-38-5

Methyl 2-Chloro-4-(1-pyrrolidinyl)benzoate

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260223 1g Out of stock Inquiry
Batchno.20250505 250mg Out of stock Inquiry
Batchno.20250606 5g Out of stock Inquiry
  • Product code: SSC-076812
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.25g, 0.1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 175153-38-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
0.1g >97% 0 Out of Stock Shenzhen Inquiry

175153-38-5 / methyl 2-chloro-4-pyrrolidin-1-ylbenzoate

Standard CAS: 175153-38-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
175153-38-5
Multi CAS
No
Molecular Formula
C12H14ClNO2
Molecular Weight
239.700000
Exact Mass
239.071306
SMILES
COC(=O)C1=C(C=C(C=C1)N2CCCC2)Cl
InChI
InChI=1S/C12H14ClNO2/c1-16-12(15)10-5-4-9(8-11(10)13)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3
InChIKey
CSBLQYDWEPLAOP-UHFFFAOYSA-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
Molar refractivity
64.24
TPSA
29.54

LogP / Solubility

WLOGP
2.73
MLOGP
2.4
XLogP3
3
Consensus LogP
2.71
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
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)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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