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CAS 16274-33-2 2,2-Dimethyl-3,4-dihydro-2H-naphtho[1,2-b]pyran molecular structure lightbox
CAS RN: 16274-33-2

2,2-Dimethyl-3,4-dihydro-2H-naphtho[1,2-b]pyran

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250323 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS16274-33-2
  • Purity/Analytical Methods: >99.0%
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16274-33-2 / 2,2-dimethyl-3,4-dihydrobenzo[h]chromene

Standard CAS: 16274-33-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16274-33-2
Multi CAS
No
Molecular Formula
C15H16O
Molecular Weight
212.290000
Exact Mass
212.120115
SMILES
CC1(CCC2=C(O1)C3=CC=CC=C3C=C2)C
InChI
InChI=1S/C15H16O/c1-15(2)10-9-12-8-7-11-5-3-4-6-13(11)14(12)16-15/h3-8H,9-10H2,1-2H3
InChIKey
HYUYQZUDUFSJRS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.33
H-bond acceptors
1
Molar refractivity
66.98
TPSA
9.23

LogP / Solubility

WLOGP
3.94
MLOGP
3.47
XLogP3
4.2
Consensus LogP
3.87
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.31
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)
-1.22

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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