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CAS 22771-44-4 1-methyl-4-prop-1-en-2-yl-cyclohex-2-en-1-ol molecular structure lightbox
CAS RN: 22771-44-4

1-methyl-4-prop-1-en-2-yl-cyclohex-2-en-1-ol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260317 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS22771-44-4
  • Purity/Analytical Methods: >99.0%
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22771-44-4 / 1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol

Standard CAS: 22771-44-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22771-44-4
Multi CAS
No
Molecular Formula
C10H16O
Molecular Weight
152.230000
Exact Mass
152.120115
SMILES
CC(=C)C1CCC(C=C1)(C)O
InChI
InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3
InChIKey
MKPMHJQMNACGDI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.3
TPSA
20.23

LogP / Solubility

WLOGP
2.28
MLOGP
2
XLogP3
2.4
Consensus LogP
2.23
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.03

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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