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CAS 13605-66-8 3-CHLORO-2-OXOPROPYLIDENE TRIPHENYLPHOSPHORANE molecular structure lightbox
CAS RN: 13605-66-8

3-CHLORO-2-OXOPROPYLIDENE TRIPHENYLPHOSPHORANE

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260412 100g Out of stock Inquiry
Batchno.20250422 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260515 1g / 5g / 25g / 100g Out of stock 5-7 business days Inquiry
Batchno.20251123 25g In stock Shanghai Inquiry
Batchno.20260421 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-044681
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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: 5g
  • 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 13605-66-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

13605-66-8 / 1-chloro-3-(triphenyl-lambda5-phosphanylidene)propan-2-one

Standard CAS: 13605-66-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13605-66-8
Multi CAS
No
Molecular Formula
C21H18ClOP
Molecular Weight
352.800000
Exact Mass
352.078380
SMILES
C1=CC=C(C=C1)P(=CC(=O)CCl)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H18ClOP/c22-16-18(23)17-24(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17H,16H2
InChIKey
NYAMPFDYTBDISG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
106.94
TPSA
17.07

LogP / Solubility

WLOGP
3.59
MLOGP
3.18
XLogP3
4.2
Consensus LogP
3.66
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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