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CAS 83688-44-2 3-HYDROXY-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTACCHROMEN-6-ONE molecular structure lightbox
CAS RN: 83688-44-2

3-HYDROXY-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTACCHROMEN-6-ONE

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260526 100mg In stock Shanghai Inquiry
Batchno.20250714 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20250809 1g In stock Shanghai Inquiry
Batchno.20260526 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS83688-44-2
  • Purity/Analytical Methods: >99.0%
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83688-44-2 / 3-hydroxy-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-6-one

Standard CAS: 83688-44-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
83688-44-2
Multi CAS
Yes
Molecular Formula
C14H14O3
Molecular Weight
230.260000
Exact Mass
230.094294
InChI
InChI=1S/C14H14O3/c15-9-6-7-11-10-4-2-1-3-5-12(10)14(16)17-13(11)8-9/h6-8,15H,1-5H2
InChIKey
XWZHCDCMXBLZFJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.36
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.41
TPSA
50.44

LogP / Solubility

WLOGP
2.77
MLOGP
2.44
XLogP3
3
Consensus LogP
2.74
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly 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)
-2.16

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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