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CAS 694-44-0 (1R,3S,5S)-REL-BICYCLO[3.1.0]HEXAN-3-OL molecular structure lightbox
CAS RN: 694-44-0

(1R,3S,5S)-REL-BICYCLO[3.1.0]HEXAN-3-OL

Product Availability

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3 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260511 100mg Out of stock Inquiry
Batchno.20250522 250mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250113 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS694-44-0
  • Purity/Analytical Methods: >99.0%
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694-44-0 / bicyclo[3.1.0]hexan-3-ol

Standard CAS: 694-44-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
694-44-0
Multi CAS
Yes
Molecular Formula
C6H10O
Molecular Weight
98.140000
Exact Mass
98.073165
InChI
InChI=1S/C6H10O/c7-6-2-4-1-5(4)3-6/h4-7H,1-3H2
InChIKey
YKXMZSYOSBDLMM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
26.84
TPSA
20.23

LogP / Solubility

WLOGP
0.78
MLOGP
0.67
XLogP3
0.9
Consensus LogP
0.78
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.94
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)
-2.77

Drug-likeness / Medicinal Chemistry

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

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