[email protected]
CAS 18512-55-5 9,10-DiethynylAnthracene molecular structure lightbox
CAS RN: 18512-55-5

9,10-DiethynylAnthracene

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260214 100mg In stock Shanghai Inquiry
Batchno.20260414 1g In stock Shanghai Inquiry
Batchno.20251126 200mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20251031 250mg In stock Shanghai Inquiry
Batchno.20250206 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS18512-55-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

18512-55-5 / 9,10-diethynylanthracene

Standard CAS: 18512-55-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18512-55-5
Multi CAS
No
Molecular Formula
C18H10
Molecular Weight
226.300000
Exact Mass
226.078250
SMILES
C#CC1=C2C=CC=CC2=C(C3=CC=CC=C31)C#C
InChI
InChI=1S/C18H10/c1-3-13-15-9-5-7-11-17(15)14(4-2)18-12-8-6-10-16(13)18/h1-2,5-12H
InChIKey
IIPDKVKBZNLDMD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
14
Rotatable bonds
2
Molar refractivity
77.32
TPSA
0.0000

LogP / Solubility

WLOGP
3.96
MLOGP
3.48
XLogP3
5.5
Consensus LogP
4.31
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
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)
-1.29

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

Customers Also Viewed

Get In Touch

Contact Us