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CAS 24253-16-5 1-chloro-3-(3-methoxyphenyl)propan-2-one molecular structure lightbox
CAS RN: 24253-16-5

1-chloro-3-(3-methoxyphenyl)propan-2-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250603 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-118380
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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 24253-16-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

24253-16-5 / 1-chloro-3-(3-methoxyphenyl)propan-2-one

Standard CAS: 24253-16-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24253-16-5
Multi CAS
No
Molecular Formula
C10H11ClO2
Molecular Weight
198.640000
Exact Mass
198.044757
SMILES
COC1=CC=CC(=C1)CC(=O)CCl
InChI
InChI=1S/C10H11ClO2/c1-13-10-4-2-3-8(6-10)5-9(12)7-11/h2-4,6H,5,7H2,1H3
InChIKey
POSNRFPMQFARTH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
52.43
TPSA
26.3

LogP / Solubility

WLOGP
2.05
MLOGP
1.8
XLogP3
2.3
Consensus LogP
2.05
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
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)
-2.48

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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