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CAS 20213-26-7 6-METHOXY-2,2-DIMETHYL-3,4-DIHYDRO-2H-BENZO[H]CHROMENE molecular structure lightbox
CAS RN: 20213-26-7

6-METHOXY-2,2-DIMETHYL-3,4-DIHYDRO-2H-BENZO[H]CHROMENE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260224 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS20213-26-7
  • Purity/Analytical Methods: >99.0%
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20213-26-7 / 6-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromene

Standard CAS: 20213-26-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20213-26-7
Multi CAS
No
Molecular Formula
C16H18O2
Molecular Weight
242.310000
Exact Mass
242.130680
SMILES
CC1(CCC2=C(O1)C3=CC=CC=C3C(=C2)OC)C
InChI
InChI=1S/C16H18O2/c1-16(2)9-8-11-10-14(17-3)12-6-4-5-7-13(12)15(11)18-16/h4-7,10H,8-9H2,1-3H3
InChIKey
OZVDAMFCGBFOHR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
73.53
TPSA
18.46

LogP / Solubility

WLOGP
3.95
MLOGP
3.48
XLogP3
4.1
Consensus LogP
3.84
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
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)
-1.39

Drug-likeness / Medicinal Chemistry

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

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