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CAS 1247446-34-9 1-(2-methoxyphenyl)cyclopropanol molecular structure lightbox
CAS RN: 1247446-34-9

1-(2-methoxyphenyl)cyclopropanol

  • Product code: SSC-028909
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1247446-34-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

1247446-34-9 / 1-(2-methoxyphenyl)cyclopropan-1-ol

Standard CAS: 1247446-34-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1247446-34-9
Multi CAS
No
Molecular Formula
C10H12O2
Molecular Weight
164.200000
Exact Mass
164.083730
SMILES
COC1=CC=CC=C1C2(CC2)O
InChI
InChI=1S/C10H12O2/c1-12-9-5-3-2-4-8(9)10(11)6-7-10/h2-5,11H,6-7H2,1H3
InChIKey
JADBDSORVKPIRA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.12
TPSA
29.46

LogP / Solubility

WLOGP
1.68
MLOGP
1.47
XLogP3
1.4
Consensus LogP
1.52
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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