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CAS 20777-39-3 (-)-DIHYDROCARVYL ACETATE molecular structure lightbox
CAS RN: 20777-39-3

(-)-DIHYDROCARVYL ACETATE

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250805 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS20777-39-3
  • Purity/Analytical Methods: >99.0%
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20777-39-3 / [(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl] acetate

Standard CAS: 20777-39-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20777-39-3
Multi CAS
No
Molecular Formula
C12H20O2
Molecular Weight
196.290000
Exact Mass
196.146330
SMILES
CC(=CC[C@@H](COC(=O)C)C(=C)C)C
InChI
InChI=1S/C12H20O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h6,12H,3,7-8H2,1-2,4-5H3/t12-/m0/s1
InChIKey
HYNGAVZPWWXQIU-LBPRGKRZSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.58
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
58.99
TPSA
26.3

LogP / Solubility

WLOGP
3.1
MLOGP
2.73
XLogP3
3.6
Consensus LogP
3.14
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly 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)
-1.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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