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CAS 202343-57-5 Dasycarpol molecular structure lightbox
CAS RN: 202343-57-5

Dasycarpol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250428 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS202343-57-5
  • Purity/Analytical Methods: >99.0%
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202343-57-5 / (3R,3aR,6S)-3-(furan-3-yl)-6-hydroxy-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one

Standard CAS: 202343-57-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
202343-57-5
Multi CAS
No
Molecular Formula
C14H16O4
Molecular Weight
248.270000
Exact Mass
248.104859
SMILES
CC1=C2C(=O)O[C@H]([C@@]2(CC[C@@H]1O)C)C3=COC=C3
InChI
InChI=1S/C14H16O4/c1-8-10(15)3-5-14(2)11(8)13(16)18-12(14)9-4-6-17-7-9/h4,6-7,10,12,15H,3,5H2,1-2H3/t10-,12-,14+/m0/s1
InChIKey
ZCEUBPHEBYXFLM-VHRBIJSZSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.59
TPSA
59.67

LogP / Solubility

WLOGP
2.36
MLOGP
2.08
XLogP3
1.2
Consensus LogP
1.88
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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