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CAS 4721-22-6 1,6-Hexylenediphosphonic Acid molecular structure lightbox
CAS RN: 4721-22-6

1,6-Hexylenediphosphonic Acid

Product Availability

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8 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250117 1g In stock Inquiry
Batchno.20250521 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250612 1g In stock Shanghai, Shandong Inquiry
Batchno.20260223 250mg In stock Shanghai, Hebei Inquiry
Batchno.20250410 50mg In stock Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250502 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250901 250mg In stock Shanghai Inquiry
Batchno.20250817 5g In stock Shanghai Inquiry
  • Product code: SSC-154165
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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 4721-22-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

4721-22-6 / 6-phosphonohexylphosphonic acid

Standard CAS: 4721-22-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4721-22-6
Multi CAS
No
Molecular Formula
C6H16O6P2
Molecular Weight
246.140000
Exact Mass
246.042212
InChI
InChI=1S/C6H16O6P2/c7-13(8,9)5-3-1-2-4-6-14(10,11)12/h1-6H2,(H2,7,8,9)(H2,10,11,12)
InChIKey
WDYVUKGVKRZQNM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
4
Molar refractivity
52.29
TPSA
115.06

LogP / Solubility

WLOGP
0.9
MLOGP
0.8
XLogP3
-2
Consensus LogP
-0.1
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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