[email protected]
CAS 69303-28-2 Phosphonic acid, P,P’,P”,P”’-[1,2,4,5-benzenetetrayltetrakis(methylene)]tetrakis- molecular structure lightbox
CAS RN: 69303-28-2

Phosphonic acid, P,P’,P”,P”’-[1,2,4,5-benzenetetrayltetrakis(methylene)]tetrakis-

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250131 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS69303-28-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

69303-28-2 / [2,4,5-tris(phosphonomethyl)phenyl]methylphosphonic acid

Standard CAS: 69303-28-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
69303-28-2
Multi CAS
No
Molecular Formula
C10H18O12P4
Molecular Weight
454.140000
Exact Mass
453.974874
InChI
InChI=1S/C10H18O12P4/c11-23(12,13)3-7-1-8(4-24(14,15)16)10(6-26(20,21)22)2-9(7)5-25(17,18)19/h1-2H,3-6H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)
InChIKey
YIHIDHLQYGLSMH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
8
Molar refractivity
89.43
TPSA
230.12

LogP / Solubility

WLOGP
0.4
MLOGP
0.38
XLogP3
-6.2
Consensus LogP
-1.81
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us