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CAS 16766-31-7 4,6-DICHLOROGUAIACOL molecular structure lightbox
CAS RN: 16766-31-7

4,6-DICHLOROGUAIACOL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251106 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-073135
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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 16766-31-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

16766-31-7 / 2,4-dichloro-6-methoxyphenol

Standard CAS: 16766-31-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16766-31-7
Multi CAS
No
Molecular Formula
C7H6Cl2O2
Molecular Weight
193.020000
Exact Mass
191.974485
SMILES
COC1=C(C(=CC(=C1)Cl)Cl)O
InChI
InChI=1S/C7H6Cl2O2/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3,10H,1H3
InChIKey
RHQIMIYFOSAUQT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.68
TPSA
29.46

LogP / Solubility

WLOGP
2.71
MLOGP
2.38
XLogP3
1.8
Consensus LogP
2.3
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly 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)
-1.98

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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