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CAS 186345-05-1 (R)-2-Chloro-1-(4-methoxyphenyl)ethanol molecular structure lightbox
CAS RN: 186345-05-1

(R)-2-Chloro-1-(4-methoxyphenyl)ethanol

  • Product code: SSC-086414
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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 186345-05-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

186345-05-1 / (1R)-2-chloro-1-(4-methoxyphenyl)ethanol

Standard CAS: 186345-05-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
186345-05-1
Multi CAS
No
Molecular Formula
C9H11ClO2
Molecular Weight
186.630000
Exact Mass
186.044757
SMILES
COC1=CC=C(C=C1)[C@H](CCl)O
InChI
InChI=1S/C9H11ClO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,9,11H,6H2,1H3/t9-/m0/s1
InChIKey
IXDKUPFFQWYOHD-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.67
TPSA
29.46

LogP / Solubility

WLOGP
1.97
MLOGP
1.73
XLogP3
1.6
Consensus LogP
1.77
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-2.46

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

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