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CAS 142409-09-4 Crovatin molecular structure lightbox
CAS RN: 142409-09-4

Crovatin

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250624 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS142409-09-4
  • Purity/Analytical Methods: >99.0%
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142409-09-4 / methyl 7-(furan-3-yl)-4-methyl-8,10,12-trioxapentacyclo[11.3.1.01,11.05,9.05,16]heptadecane-17-carboxylate

Standard CAS: 142409-09-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
142409-09-4
Multi CAS
No
Molecular Formula
C21H26O6
Molecular Weight
374.400000
Exact Mass
374.172939
SMILES
CC1CCC23C4C15CC(OC5OC2OC(C3C(=O)OC)CC4)C6=COC=C6
InChI
InChI=1S/C21H26O6/c1-11-5-7-20-15-4-3-13(16(20)17(22)23-2)25-18(20)27-19-21(11,15)9-14(26-19)12-6-8-24-10-12/h6,8,10-11,13-16,18-19H,3-5,7,9H2,1-2H3
InChIKey
GRJSIUBKDJRQIL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
5
Fraction Csp3
0.76
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
92.18
TPSA
67.13

LogP / Solubility

WLOGP
3.42
MLOGP
3.03
XLogP3
2.8
Consensus LogP
3.08
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10

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