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CAS 92618-89-8 D,L-ISOBORNYL ACETATE molecular structure lightbox
CAS RN: 92618-89-8

D,L-ISOBORNYL ACETATE

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251201 100g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260114 1kg Out of stock Inquiry
Batchno.20250222 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260511 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS92618-89-8
  • Purity/Analytical Methods: >99.0%
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92618-89-8 / (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate

Standard CAS: 92618-89-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
92618-89-8
Multi CAS
Yes
Molecular Formula
C12H20O2
Molecular Weight
196.290000
Exact Mass
196.146330
InChI
InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3
InChIKey
KGEKLUUHTZCSIP-UHFFFAOYSA-N

Physical Properties

Density
0.981-0.985
Physical Description
Colourless liquid, semicrystaline mass to white crystaline solid; Sweet herbaceous, piney aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
54.78
TPSA
26.3

LogP / Solubility

WLOGP
2.76
MLOGP
2.43
XLogP3
3.3
Consensus LogP
2.83
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
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)
-1.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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