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CAS 155911-16-3 6-HEX molecular structure lightbox
CAS RN: 155911-16-3

6-HEX

Product Availability

Choose a grade to view its available package options.

10 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260516 100mg In stock Inquiry
Batchno.20250127 1g Out of stock Inquiry
Batchno.20260111 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250921 100mg In stock Shenzhen, Chengdu Inquiry
Batchno.20251029 100mg / 250mg / 1g Confirm by inquiry Guangdong, Hebei, Shanghai Inquiry
Batchno.20260325 10g Out of stock Inquiry
Batchno.20260603 1g In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251130 250mg Out of stock Inquiry
Batchno.20260501 5g In stock Shenzhen, Tianjin, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251202 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-065160
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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 155911-16-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

155911-16-3 / 2',4,4',5',7,7'-hexachloro-3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid

Standard CAS: 155911-16-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
155911-16-3
Multi CAS
No
Molecular Formula
C21H6Cl6O7
Molecular Weight
583.000000
Exact Mass
581.821519
SMILES
C1=C(C(=C2C(=C1Cl)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)Cl)O)Cl)Cl)O)Cl)Cl)C(=O)O
InChI
InChI=1S/C21H6Cl6O7/c22-7-1-4(19(30)31)12(25)11-10(7)20(32)34-21(11)5-2-8(23)15(28)13(26)17(5)33-18-6(21)3-9(24)16(29)14(18)27/h1-3,28-29H,(H,30,31)
InChIKey
AFBUYXUHQACBAO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
3
Molar refractivity
125.05
TPSA
113.29

LogP / Solubility

WLOGP
7.28
MLOGP
6.46
XLogP3
6.7
Consensus LogP
6.81
Log S (ESOL)
-8.37
Class (ESOL)
Insoluble
Log S (Ali)
-9.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.62
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.1

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4.5

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