Spiromustine
TL;DR: Spiromustine (CAS 56605-16-4) is a chemical compound with molecular formula C14H23Cl2N3O2 and molecular weight 335.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[bis(2-chloroethyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
Also Known As: SPIROMUSTINE, Spirohydantoin mustard, Spiromustinum, Espiromustina, Spiromustina
| Molecular Formula | C14H23Cl2N3O2 |
|---|---|
| Molecular Weight | 335.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 335.11673 |
| Heavy Atoms | 21 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 56605-16-4 |
|---|---|
| SMILES | C1CCC2(CC1)C(=O)N(C(=O)N2)CCN(CCCl)CCCl |
| InChIKey | QNKJFXARIMSDBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Spiromustine (CAS 56605-16-4), with molecular formula C14H23Cl2N3O2 and molecular weight 335.12 g/mol. IUPAC: 3-[2-[bis(2-chloroethyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
Chemical Property Profile of Spiromustine
Property Insights of Spiromustine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiromustine. With a topological polar surface area (TPSA) of 52.7 Ų, Spiromustine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiromustine has 1 hydrogen bond donor(s) and 3 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 Spiromustine?
The CAS number of Spiromustine is 56605-16-4.
What is the molecular formula of Spiromustine?
The molecular formula of Spiromustine is C14H23Cl2N3O2.
What is the molecular weight of Spiromustine?
The molecular weight of Spiromustine is 335.12 g/mol.
Where can I buy Spiromustine?
You can request a quote for Spiromustine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiromustine?
Yes, KEHONG BIO provides custom synthesis services for Spiromustine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.