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CAS 6056-53-7 [(phenylmethyl)imino]bis(methylene)]bisphosphonic acid molecular structure lightbox
CAS RN: 6056-53-7

[(phenylmethyl)imino]bis(methylene)]bisphosphonic acid

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260226 100mg Out of stock Inquiry
Batchno.20260119 250mg Out of stock Inquiry
  • Product code: SSC-169160
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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 6056-53-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

6056-53-7 / [benzyl(phosphonomethyl)amino]methylphosphonic acid

Standard CAS: 6056-53-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6056-53-7
Multi CAS
Yes
Molecular Formula
C9H15NO6P2
Molecular Weight
295.170000
Exact Mass
295.037461
InChI
InChI=1S/C9H15NO6P2/c11-17(12,13)7-10(8-18(14,15)16)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,11,12,13)(H2,14,15,16)
InChIKey
OWIOSXILXLIEGX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
4
Molar refractivity
65.81
TPSA
118.3

LogP / Solubility

WLOGP
0.76
MLOGP
0.68
XLogP3
-4
Consensus LogP
-0.85
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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)
-3.98

Drug-likeness / Medicinal Chemistry

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

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