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CAS 837-45-6 PHENANTHRENE-9-CARBOXALDEHYDE molecular structure lightbox
CAS RN: 837-45-6

PHENANTHRENE-9-CARBOXALDEHYDE

Product Availability

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251009 100mg In stock Shanghai, Hebei Inquiry
Batchno.20251206 1g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250825 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251205 250mg In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20260506 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250218 5g In stock Shanghai, Shandong Inquiry
Batchno.20250602 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS837-45-6
  • Purity/Analytical Methods: >99.0%
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837-45-6 / phenanthrene-9-carboxylic acid

Standard CAS: 837-45-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
837-45-6
Multi CAS
Yes
Molecular Formula
C15H10O2
Molecular Weight
222.240000
Exact Mass
222.068080
InChI
InChI=1S/C15H10O2/c16-15(17)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H,(H,16,17)
InChIKey
LMFJKKGDLAICPF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.41
TPSA
37.3

LogP / Solubility

WLOGP
3.69
MLOGP
3.25
XLogP3
4.3
Consensus LogP
3.75
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.29
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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