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CAS 35999-21-4 3-Chloro-1-(2-hydroxyphenyl)-1-propanone molecular structure lightbox
CAS RN: 35999-21-4

3-Chloro-1-(2-hydroxyphenyl)-1-propanone

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250701 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-143091
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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, 0.1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • 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 35999-21-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 1 In Stock Beijing Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

35999-21-4 / 3-chloro-1-(2-hydroxyphenyl)propan-1-one

Standard CAS: 35999-21-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35999-21-4
Multi CAS
No
Molecular Formula
C9H9CLO2
Molecular Weight
184.620000
Exact Mass
184.029107
InChI
InChI=1S/C9H9ClO2/c10-6-5-9(12)7-3-1-2-4-8(7)11/h1-4,11H,5-6H2
InChIKey
KKFRUMANXCNMIM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.77
TPSA
37.3

LogP / Solubility

WLOGP
2.2
MLOGP
1.94
XLogP3
2.6
Consensus LogP
2.25
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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)
-2.28

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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