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CAS 1086-00-6 1-Chloromethylpyrene molecular structure lightbox
CAS RN: 1086-00-6

1-Chloromethylpyrene

Product Availability

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6 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250619 1g In stock Inquiry
Batchno.20250818 200mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250515 50mg / 200mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250829 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251017 1g In stock Shanghai, Wuhan Inquiry
Batchno.20250129 250mg In stock Wuhan Inquiry
  • Product code: SSC-009845
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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: ≥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 1086-00-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

1086-00-6 / 1-(chloromethyl)pyrene

1-Chloromethylpyrene | 1-(chloromethyl)pyrene | Pyrene, 1-(chloromethyl)-

Standard CAS: 1086-00-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1086-00-6
Multi CAS
No
Molecular Formula
C17H11Cl
Molecular Weight
250.700000
Exact Mass
250.054928
SMILES
C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCl
InChI
InChI=1S/C17H11Cl/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-9H,10H2
InChIKey
MVNXSXOJYGSNQZ-UHFFFAOYSA-N
Synonyms
1-Chloromethylpyrene 1-(chloromethyl)pyrene Pyrene, 1-(chloromethyl)- B7AEW53FE3 NSC-133487

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
1
Molar refractivity
79.7
TPSA
0.0000

LogP / Solubility

WLOGP
5.32
MLOGP
4.69
XLogP3
5.4
Consensus LogP
5.14
Log S (ESOL)
-5.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.47

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
2

Safety & Transport

Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (97.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P273, P391, and P501

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