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CAS 7072-00-6 10-METHYLANTHRACENE-9-CARBOXALDEHYDE molecular structure lightbox
CAS RN: 7072-00-6

10-METHYLANTHRACENE-9-CARBOXALDEHYDE

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260329 100mg In stock Shanghai, Shandong Inquiry
Batchno.20251218 1g Out of stock 5-7 business days Inquiry
Batchno.20260403 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS7072-00-6
  • Purity/Analytical Methods: >99.0%
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7072-00-6 / 10-methylanthracene-9-carbaldehyde

Standard CAS: 7072-00-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7072-00-6
Multi CAS
Yes
Molecular Formula
C16H12O
Molecular Weight
220.260000
Exact Mass
220.088815
InChI
InChI=1S/C16H12O/c1-11-12-6-2-4-8-14(12)16(10-17)15-9-5-3-7-13(11)15/h2-10H,1H3
InChIKey
KVWSVUPNZVIFBN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
14
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
71.58
TPSA
17.07

LogP / Solubility

WLOGP
4.11
MLOGP
3.62
XLogP3
4.2
Consensus LogP
3.98
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
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)
-1.14

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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