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CAS 1384277-05-7 Cyclopropanol, 2-(4-penten-1-yl)-,(1R,2R)-rel- molecular structure lightbox
CAS RN: 1384277-05-7

Cyclopropanol, 2-(4-penten-1-yl)-,(1R,2R)-rel-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260408 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1384277-05-7
  • Purity/Analytical Methods: >99.0%
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1384277-05-7 / cis-(1R,2R)-2-pent-4-enylcyclopropan-1-ol

Standard CAS: 1384277-05-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1384277-05-7
Multi CAS
No
Molecular Formula
C8H14O
Molecular Weight
126.200000
Exact Mass
126.104465
SMILES
C=CCCC[C@@H]1C[C@H]1O
InChI
InChI=1S/C8H14O/c1-2-3-4-5-7-6-8(7)9/h2,7-9H,1,3-6H2/t7-,8-/m1/s1
InChIKey
RQYNRRRPNBIJKC-HTQZYQBOSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.16
TPSA
20.23

LogP / Solubility

WLOGP
1.72
MLOGP
1.51
XLogP3
2
Consensus LogP
1.74
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately 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)
-2.27

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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