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CAS 15679-24-0 2,7-DIMETHYLPYRENE molecular structure lightbox
CAS RN: 15679-24-0

2,7-DIMETHYLPYRENE

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250407 100mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260624 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20251008 1g In stock Shenzhen, Chengdu Inquiry
Batchno.20250403 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS15679-24-0
  • Purity/Analytical Methods: >99.0%
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15679-24-0 / 2,7-dimethylpyrene

Standard CAS: 15679-24-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
15679-24-0
Multi CAS
No
Molecular Formula
C18H14
Molecular Weight
230.300000
Exact Mass
230.109550
SMILES
CC1=CC2=C3C(=C1)C=CC4=CC(=CC(=C43)C=C2)C
InChI
InChI=1S/C18H14/c1-11-7-13-3-5-15-9-12(2)10-16-6-4-14(8-11)17(13)18(15)16/h3-10H,1-2H3
InChIKey
GSKHIRFMTJUBSM-UHFFFAOYSA-N

Physical Properties

Melting Point
230 °C

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
Fraction Csp3
0.11
Molar refractivity
79.62
TPSA
0.0000

LogP / Solubility

WLOGP
5.2
MLOGP
4.58
XLogP3
5.8
Consensus LogP
5.19
Log S (ESOL)
-5.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
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)
-0.43

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

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