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CAS 70-51-9 Deferoxamine molecular structure lightbox
CAS RN: 70-51-9

Deferoxamine

  • Product code: SSC-179760
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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: 0.1g
  • 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 70-51-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

70-51-9 / N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide

Standard CAS: 70-51-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
70-51-9
Multi CAS
No
Molecular Formula
C25H48N6O8
Molecular Weight
560.700000
Exact Mass
560.353363
InChI
InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)
InChIKey
UBQYURCVBFRUQT-UHFFFAOYSA-N

Physical Properties

Melting Point
MP: 138-140 °C /MONOHYDRATE/; 172-175 °C /HYDROCHLORIDE/; 148-149 °C /METHANESULFONATE/ MP: 180-182 °C /N-ACETYL DERIV/ 138 - 140 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
39
Fraction Csp3
0.8
Rotatable bonds
23
H-bond acceptors
9
H-bond donors
6
Molar refractivity
141.27
TPSA
205.84

LogP / Solubility

WLOGP
0.92
MLOGP
0.85
XLogP3
-2.1
Consensus LogP
-0.11
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.83
Class (SILICOS-IT)
Insoluble

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)
-5.49

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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