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CAS 4672-29-1 BENZENE-1,3,5-TRISPHOSPHONIC ACID molecular structure lightbox
CAS RN: 4672-29-1

BENZENE-1,3,5-TRISPHOSPHONIC ACID

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260207 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250125 1g In stock Shenzhen, Tianjin Inquiry
Batchno.20250611 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250211 50mg In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-153958
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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 4672-29-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

4672-29-1 / (3,5-diphosphonophenyl)phosphonic acid

Standard CAS: 4672-29-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4672-29-1
Multi CAS
No
Molecular Formula
C6H9O9P3
Molecular Weight
318.050000
Exact Mass
317.945943
InChI
InChI=1S/C6H9O9P3/c7-16(8,9)4-1-5(17(10,11)12)3-6(2-4)18(13,14)15/h1-3H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)
InChIKey
OARRIBWWCWLELO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
6
Molar refractivity
61.48
TPSA
172.59

LogP / Solubility

WLOGP
-1.9
MLOGP
-1.66
XLogP3
-4
Consensus LogP
-2.52
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.51
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-6.01

Drug-likeness / Medicinal Chemistry

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

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