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CAS 116278-69-4 6-AMino-2,3-dichlorophenol molecular structure lightbox
CAS RN: 116278-69-4

6-AMino-2,3-dichlorophenol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251014 25mg / 100mg / 250mg / 1g / 5g Confirm by inquiry Shandong 5-7 business days Inquiry
  • Product code: SSC-016375
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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: ＞97%
  • 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 116278-69-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

116278-69-4 / 6-amino-2,3-dichlorophenol

6-Amino-2,3-dichlorophenol | Phenol, 6-amino-2,3-dichloro- | MFCD20693682

Standard CAS: 116278-69-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
116278-69-4
Multi CAS
No
Molecular Formula
C6H5Cl2NO
Molecular Weight
178.010000
Exact Mass
176.974819
SMILES
C1=CC(=C(C(=C1N)O)Cl)Cl
InChI
InChI=1S/C6H5Cl2NO/c7-3-1-2-4(9)6(10)5(3)8/h1-2,10H,9H2
InChIKey
LBKNLCXXJZQFHU-UHFFFAOYSA-N
Synonyms
6-Amino-2,3-dichlorophenol Phenol, 6-amino-2,3-dichloro- MFCD20693682 5,6-dichloro-2-aminophenol amino-5,6 dichlorophenol

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.54
TPSA
46.25

LogP / Solubility

WLOGP
2.28
MLOGP
2
XLogP3
2.5
Consensus LogP
2.26
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-2.19

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
1.5

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