Methiotepa
TL;DR: Methiotepa (CAS 76-96-0) is a chemical compound with molecular formula C9H18N3PS and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(2-methylaziridin-1-yl)-sulfanylidene-λ5-phosphane
Also Known As: Methiotepa, Metapside, Maps, ENT 161A, Phosphine sulfide, (D)-
| Molecular Formula | C9H18N3PS |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.0959 |
| Heavy Atoms | 14 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 76-96-0 |
|---|---|
| SMILES | CC1CN1P(=S)(N2CC2C)N3CC3C |
| InChIKey | MLFGIRNMAOXTHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methiotepa (CAS 76-96-0), with molecular formula C9H18N3PS and molecular weight 231.10 g/mol. IUPAC: tris(2-methylaziridin-1-yl)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Methiotepa
Property Insights of Methiotepa
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methiotepa. With a topological polar surface area (TPSA) of 41.1 Ų, Methiotepa exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methiotepa has 0 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 Methiotepa?
The CAS number of Methiotepa is 76-96-0.
What is the molecular formula of Methiotepa?
The molecular formula of Methiotepa is C9H18N3PS.
What is the molecular weight of Methiotepa?
The molecular weight of Methiotepa is 231.10 g/mol.
Where can I buy Methiotepa?
You can request a quote for Methiotepa directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methiotepa?
Yes, KEHONG BIO provides custom synthesis services for Methiotepa and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.