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CAS 116668-72-5 5-Chloro-6-hydroxynaphthalene molecular structure lightbox
CAS RN: 116668-72-5

5-Chloro-6-hydroxynaphthalene

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250131 100mg In stock Shenzhen Inquiry
Batchno.20250317 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260628 1g In stock Shanghai Inquiry
Batchno.20250524 250mg In stock Shenzhen Inquiry
  • Product code: SSC-016596
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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: ＞98%
  • 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 116668-72-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞98% 0 Out of Stock Beijing Inquiry

116668-72-5 / 5-chloronaphthalen-2-ol

1-Chloro-6-naphthol | 5-chloronaphthalen-2-ol | 5-Chloro-6-hydroxynaphthalene

Standard CAS: 116668-72-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
116668-72-5
Multi CAS
No
Molecular Formula
C10H7ClO
Molecular Weight
178.610000
Exact Mass
178.018543
SMILES
C1=CC2=C(C=CC(=C2)O)C(=C1)Cl
InChI
InChI=1S/C10H7ClO/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h1-6,12H
InChIKey
ZWSXQPLATWDSME-UHFFFAOYSA-N
Synonyms
1-Chloro-6-naphthol 5-chloronaphthalen-2-ol 5-Chloro-6-hydroxynaphthalene 1-Chloro-6-hydroxynaphthalene MFCD17012487

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.62
TPSA
20.23

LogP / Solubility

WLOGP
3.2
MLOGP
2.81
XLogP3
3.6
Consensus LogP
3.2
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.54

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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