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CAS 32277-35-3 1,2-dihydrocyclobuta[a]naphthalene molecular structure lightbox
CAS RN: 32277-35-3

1,2-dihydrocyclobuta[a]naphthalene

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250425 1g Out of stock 5-7 business days Inquiry
Batchno.20250723 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS32277-35-3
  • Purity/Analytical Methods: >99.0%
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32277-35-3 / 1,2-dihydrocyclobuta[a]naphthalene

Standard CAS: 32277-35-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
32277-35-3
Multi CAS
No
Molecular Formula
C12H10
Molecular Weight
154.210000
Exact Mass
154.078250
InChI
InChI=1S/C12H10/c1-2-4-11-9(3-1)5-6-10-7-8-12(10)11/h1-6H,7-8H2
InChIKey
MXVTXRCFKWSEAZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.17
Molar refractivity
51.36
TPSA
0.0000

LogP / Solubility

WLOGP
2.94
MLOGP
2.58
XLogP3
2.6
Consensus LogP
2.71
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.57

Drug-likeness / Medicinal Chemistry

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

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