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CAS 19012-97-6 2H-1-Benzopyran-7-ol, 2,2-diMethyl- molecular structure lightbox
CAS RN: 19012-97-6

2H-1-Benzopyran-7-ol, 2,2-diMethyl-

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250511 5mg Out of stock 30 business days Inquiry
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  • Product code: starshine_CAS19012-97-6
  • Purity/Analytical Methods: >99.0%
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19012-97-6 / 2,2-dimethylchromen-7-ol

Standard CAS: 19012-97-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19012-97-6
Multi CAS
No
Molecular Formula
C11H12O2
Molecular Weight
176.210000
Exact Mass
176.083730
SMILES
CC1(C=CC2=C(O1)C=C(C=C2)O)C
InChI
InChI=1S/C11H12O2/c1-11(2)6-5-8-3-4-9(12)7-10(8)13-11/h3-7,12H,1-2H3
InChIKey
GFXPDSJDSLEZTB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.27
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.85
TPSA
29.46

LogP / Solubility

WLOGP
2.58
MLOGP
2.26
XLogP3
3
Consensus LogP
2.61
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97

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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