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CAS 2611-00-9 3-Cyclohexenyl 3-cyclohexene 1-carboxylate molecular structure lightbox
CAS RN: 2611-00-9

3-Cyclohexenyl 3-cyclohexene 1-carboxylate

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251026 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250816 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250609 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20250527 5g Out of stock Inquiry
  • Product code: starshine_CAS2611-00-9
  • Purity/Analytical Methods: >99.0%
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2611-00-9 / cyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate

Standard CAS: 2611-00-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2611-00-9
Multi CAS
Yes
Molecular Formula
C14H20O2
Molecular Weight
220.310000
Exact Mass
220.146330
InChI
InChI=1S/C14H20O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-3,5,12-13H,4,6-11H2
InChIKey
FJPFRSQDAFMEKD-UHFFFAOYSA-N

Physical Properties

Physical Description
Colorless liquid with a sweet odor; [Reference #1]
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.64
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
63.92
TPSA
26.3

LogP / Solubility

WLOGP
3.24
MLOGP
2.86
XLogP3
3.4
Consensus LogP
3.17
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
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)
-1.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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