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CAS 276856-55-4 Cryptomoscatone D2 molecular structure lightbox
CAS RN: 276856-55-4

Cryptomoscatone D2

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260312 5mg Out of stock 30 business days Inquiry
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Batchno.20250825 5mg Out of stock Inquiry
  • Product code: starshine_CAS276856-55-4
  • Purity/Analytical Methods: >99.0%
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276856-55-4 / (2R)-2-[(E,2R,4R)-2,4-dihydroxy-6-phenylhex-5-enyl]-2,3-dihydropyran-6-one

Standard CAS: 276856-55-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
276856-55-4
Multi CAS
No
Molecular Formula
C17H20O4
Molecular Weight
288.340000
Exact Mass
288.136159
SMILES
C1C=CC(=O)O[C@H]1C[C@@H](C[C@H](/C=C/C2=CC=CC=C2)O)O
InChI
InChI=1S/C17H20O4/c18-14(10-9-13-5-2-1-3-6-13)11-15(19)12-16-7-4-8-17(20)21-16/h1-6,8-10,14-16,18-19H,7,11-12H2/b10-9+/t14-,15+,16+/m0/s1
InChIKey
GOQOIZFMLWZVMB-GLBZDCTLSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.35
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
80.36
TPSA
66.76

LogP / Solubility

WLOGP
2.07
MLOGP
1.84
XLogP3
2.3
Consensus LogP
2.07
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly 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)
-3.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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