3-去氯乙基异环磷酰胺
TL;DR: 3-去氯乙基异环磷酰胺 (CAS 36761-83-8) is a chemical compound with molecular formula C5H12ClN2O2P and molecular weight 198.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-去氯乙基异环磷酰胺
N-(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine
Also Known As: 3-Dechloroethylifosfamide, Dechloroethylcyclophosphamide, N-Dechloroethyl Cyclophosphamide, Monochloroethylcyclophosphamide, N-dechloroethyl-CPA
| Molecular Formula | C5H12ClN2O2P |
|---|---|
| Molecular Weight | 198.03 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.03249 |
| Heavy Atoms | 11 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 36761-83-8 |
|---|---|
| SMILES | C1CNP(=O)(OC1)NCCCl |
| InChIKey | DZKGMGPLDJOVCX-UHFFFAOYSA-N |
Product Overview
3-去氯乙基异环磷酰胺 (CAS 36761-83-8), with molecular formula C5H12ClN2O2P and molecular weight 198.03 g/mol. IUPAC: N-(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine.
Chemical Property Profile of 3-去氯乙基异环磷酰胺
Property Insights of 3-去氯乙基异环磷酰胺
The XLogP value of -0.3 indicates that 3-去氯乙基异环磷酰胺 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.4 Ų, 3-去氯乙基异环磷酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-去氯乙基异环磷酰胺 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-去氯乙基异环磷酰胺?
The CAS number of 3-去氯乙基异环磷酰胺 is 36761-83-8.
What is the molecular formula of 3-去氯乙基异环磷酰胺?
The molecular formula of 3-去氯乙基异环磷酰胺 is C5H12ClN2O2P.
What is the molecular weight of 3-去氯乙基异环磷酰胺?
The molecular weight of 3-去氯乙基异环磷酰胺 is 198.03 g/mol.
Where can I buy 3-去氯乙基异环磷酰胺?
You can request a quote for 3-去氯乙基异环磷酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-去氯乙基异环磷酰胺?
Yes, KEHONG BIO provides custom synthesis services for 3-去氯乙基异环磷酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.