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CAS 16104-28-2 1,3,5,7-tetrahydroxyadamantane molecular structure lightbox
CAS RN: 16104-28-2

1,3,5,7-tetrahydroxyadamantane

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250516 100mg In stock Shanghai Inquiry
Batchno.20260114 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20260411 1g In stock Shanghai Inquiry
Batchno.20250216 250mg In stock Shanghai Inquiry
Batchno.20250404 25mg In stock Shanghai Inquiry
Batchno.20260513 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS16104-28-2
  • Purity/Analytical Methods: >99.0%
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16104-28-2 / adamantane-1,3,5,7-tetrol

Standard CAS: 16104-28-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16104-28-2
Multi CAS
No
Molecular Formula
C10H16O4
Molecular Weight
200.230000
Exact Mass
200.104859
SMILES
C1C2(CC3(CC1(CC(C2)(C3)O)O)O)O
InChI
InChI=1S/C10H16O4/c11-7-1-8(12)4-9(13,2-7)6-10(14,3-7)5-8/h11-14H,1-6H2
InChIKey
CPWNSSYGNSROKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
H-bond acceptors
4
H-bond donors
4
Molar refractivity
47.5
TPSA
80.92

LogP / Solubility

WLOGP
-0.71
MLOGP
-0.62
XLogP3
-1.5
Consensus LogP
-0.94
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.37
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

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