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CAS 4721-17-9 Hexadecylphosphonic Acid molecular structure lightbox
CAS RN: 4721-17-9

Hexadecylphosphonic Acid

Product Availability

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10 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250717 100g In stock Inquiry
Batchno.20250812 1g In stock Inquiry
Batchno.20251029 1kg Out of stock Inquiry
Batchno.20260420 250mg In stock Inquiry
Batchno.20250426 25g In stock Inquiry
Batchno.20250625 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250127 100g In stock Shanghai Inquiry
Batchno.20250615 1kg In stock Shanghai Inquiry
Batchno.20250115 25g In stock Shanghai Inquiry
Batchno.20260319 500g In stock Shanghai Inquiry
  • Product code: SSC-154164
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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: 25g
  • 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 4721-17-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry

4721-17-9 / hexadecylphosphonic acid

Standard CAS: 4721-17-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4721-17-9
Multi CAS
Yes
Molecular Formula
C16H35O3P
Molecular Weight
306.420000
Exact Mass
306.232382
InChI
InChI=1S/C16H35O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3,(H2,17,18,19)
InChIKey
JDPSFRXPDJVJMV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
15
H-bond acceptors
1
H-bond donors
2
Molar refractivity
87.22
TPSA
57.53

LogP / Solubility

WLOGP
5.65
MLOGP
4.98
XLogP3
6.1
Consensus LogP
5.58
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.14
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.58

Drug-likeness / Medicinal Chemistry

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

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