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CAS 645-45-4 3-Phenylpropionyl Chloride molecular structure lightbox
CAS RN: 645-45-4

3-Phenylpropionyl Chloride

Product Availability

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7 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250719 100g In stock Inquiry
Batchno.20260423 10g In stock Inquiry
Batchno.20250113 25g In stock Inquiry
Batchno.20250522 500g In stock Inquiry
Batchno.20251130 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250928 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Hebei, Guangdong, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250703 1g In stock Shanghai Inquiry
  • Product code: SSC-174243
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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: 5g, 10g, 25g, 100g
  • Available purity: ≥96%
  • 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 645-45-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥96% 5 In Stock Hong Kong Inquiry
10g ≥96% 5 In Stock Beijing Inquiry
25g ≥96% 5 In Stock Beijing Inquiry
100g ≥96% 0 Out of Stock Shanghai Inquiry

645-45-4 / 3-phenylpropanoyl chloride

Standard CAS: 645-45-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
645-45-4
Multi CAS
Yes
Molecular Formula
C9H9CLO
Molecular Weight
168.620000
Exact Mass
168.034193
InChI
InChI=1S/C9H9ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
MFEILWXBDBCWKF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
45.62
TPSA
17.07

LogP / Solubility

WLOGP
2.38
MLOGP
2.09
XLogP3
2.8
Consensus LogP
2.42
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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)
-2.06

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
1.5

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