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CAS 18093-12-4 3-chloro-4-Methoxyphenol molecular structure lightbox
CAS RN: 18093-12-4

3-chloro-4-Methoxyphenol

  • Product code: SSC-082217
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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 18093-12-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

18093-12-4 / 3-chloro-4-methoxyphenol

Standard CAS: 18093-12-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18093-12-4
Multi CAS
No
Molecular Formula
C7H7ClO2
Molecular Weight
158.580000
Exact Mass
158.013457
SMILES
COC1=C(C=C(C=C1)O)Cl
InChI
InChI=1S/C7H7ClO2/c1-10-7-3-2-5(9)4-6(7)8/h2-4,9H,1H3
InChIKey
DXUDPAQOAABPAE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.67
TPSA
29.46

LogP / Solubility

WLOGP
2.05
MLOGP
1.8
XLogP3
2.4
Consensus LogP
2.08
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-2.23

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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