Research chemical

Ifosfamide

CAS Number: 109724-97-2

Product details

Identity & specification

Molecular formula: C7H15Cl2N2O2P
Molecular weight: 261.08 g/mol
Product type: Research-use catalog compound
Documentation: COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

3690

Exact Mass

260.02482

InChIKey

HOMGKSMUEGBAAB-UHFFFAOYSA-N

IUPAC Name

N,3-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine

SMILES String

C1CN(P(=O)(OC1)NCCCl)CCCl

Physical Properties

Appearance

Form: solid

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

H-bond acceptors

H-bond donors

Rotatable bonds

Ring count

Aromatic rings

Topological polar surface area

41.57 Å²

Computed LogP

1.88

Fragment-like structure rule

Yes

Lead-like structure rule

Yes

Drug-like structure rule

Yes

Structure family

phosphine ligand

Precious metal motif

Transition metal motif

Phosphine ligand motif

Yes

N-heterocycle motif

Yes

Boronic acid motif

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

Structural features

Ifosfamide (CAS 109724-97-2) is maintained as a cataloged research chemical with formula C7H15Cl2N2O2P, molecular weight 261. 08 g/mol, PubChem CID 3690.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle, phosphine-ligand motif, fragment-like structure profile, lead-like structure profile.

Documentation needs

SDS signal word: Warning; hazard codes: H302; for research use only.

Applications & Classification

Supplier Catalog Sourcing Commercial Research Chemicals Heterocyclic Building Blocks Ligand ResearchResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability review

Biological target reference

ChEMBL reports experimental activity evidence for: 5-hydroxytryptamine receptor 1A (Homo sapiens) — 2 assays; 5-hydroxytryptamine receptor 2A (Homo sapiens) — 2 assays; 5-hydroxytryptamine receptor 2B (Homo sapiens) — 2 assays; Alpha-2A adrenergic receptor (Homo sapiens) — 2 assays; Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

5-hydroxytryptamine receptor 1A

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents