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CAS 31645-39-3 Palifosfamide molecular structure lightbox
CAS RN: 31645-39-3

Palifosfamide

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260324 100mg In stock Shanghai Inquiry
Batchno.20250118 10mg In stock Shanghai Inquiry
Batchno.20250413 250mg Out of stock Inquiry
Batchno.20260219 25mg In stock Shanghai Inquiry
Batchno.20260620 50mg In stock Shanghai Inquiry
Batchno.20260617 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS31645-39-3
  • Purity/Analytical Methods: >99.0%
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31645-39-3 / bis(2-chloroethylamino)phosphinic acid

Standard CAS: 31645-39-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31645-39-3
Multi CAS
Yes
Molecular Formula
C4H11CL2N2O2P
Molecular Weight
221.020000
Exact Mass
219.993520
InChI
InChI=1S/C4H11Cl2N2O2P/c5-1-3-7-11(9,10)8-4-2-6/h1-4H2,(H3,7,8,9,10)
InChIKey
BKCJZNIZRWYHBN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
3
Molar refractivity
47.27
TPSA
61.36

LogP / Solubility

WLOGP
0.74
MLOGP
0.66
XLogP3
-0.4
Consensus LogP
0.33
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.54

Drug-likeness / Medicinal Chemistry

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

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