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CAS 86941-00-6 (1R,3s,5S)-Methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate molecular structure lightbox
CAS RN: 86941-00-6

(1R,3s,5S)-Methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250109 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250801 1g Out of stock Inquiry
Batchno.20260330 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS86941-00-6
  • Purity/Analytical Methods: >99.0%
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86941-00-6 / methyl (1S,5R)-6-oxabicyclo[3.1.0]hexane-3-carboxylate

Standard CAS: 86941-00-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
86941-00-6
Multi CAS
Yes
Molecular Formula
C7H10O3
Molecular Weight
142.150000
Exact Mass
142.062994
InChI
InChI=1S/C7H10O3/c1-9-7(8)4-2-5-6(3-4)10-5/h4-6H,2-3H2,1H3/t4?,5-,6+
InChIKey
VQWDWFRQNVCVBK-GOHHTPAQSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
33.4
TPSA
38.83

LogP / Solubility

WLOGP
0.34
MLOGP
0.29
XLogP3
0.3
Consensus LogP
0.31
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.98
Class (SILICOS-IT)
Very 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)
-3.35

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
2.5

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