3-(Chloromethyl)-2-hydroxy-1,3-diazaspiro(4.5)dec-1-en-4-one
TL;DR: 3-(Chloromethyl)-2-hydroxy-1,3-diazaspiro(4.5)dec-1-en-4-one (CAS 880-47-7) is a chemical compound with molecular formula C9H13ClN2O2 and molecular weight 216.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
Also Known As: 3'-Chloromethylcyclohexanespiro-5'-hydantoin, 3-chloromethyl-5,5-pentamethylenehydantoin, 3- -1,3-diazaspiro[4.5]decane-2,4-dione, 3-(chloromethyl)-1,3-diazaspiro[4.5]decane-2,4-dione, 5-24-07-00294 (Beilstein Handbook Reference)
| Molecular Formula | C9H13ClN2O2 |
|---|---|
| Molecular Weight | 216.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.06656 |
| Heavy Atoms | 14 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 880-47-7 |
|---|---|
| SMILES | C1CCC2(CC1)C(=O)N(C(=O)N2)CCl |
| InChIKey | JYBXNWSEFLHIRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Chloromethyl)-2-hydroxy-1,3-diazaspiro(4.5)dec-1-en-4-one (CAS 880-47-7), with molecular formula C9H13ClN2O2 and molecular weight 216.07 g/mol. IUPAC: 3-(chloromethyl)-1,3-diazaspiro[4.5]decane-2,4-dione.
Chemical Property Profile of 3-(Chloromethyl)-2-hydroxy-1,3-diazaspiro(4.5)dec-1-en-4-one
Property Insights of 3-(Chloromethyl)-2-hydroxy-1,3-diazaspiro(4.5)dec-1-en-4-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Chloromethyl)-2-hydroxy-1,3-diazaspiro(4.5)dec-1-en-4-one. With a topological polar surface area (TPSA) of 49.4 Ų, 3-(Chloromethyl)-2-hydroxy-1,3-diazaspiro(4.5)dec-1-en-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Chloromethyl)-2-hydroxy-1,3-diazaspiro(4.5)dec-1-en-4-one has 1 hydrogen bond donor(s) and 2 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-(Chloromethyl)-2-hydroxy-1,3-diazaspiro(4.5)dec-1-en-4-one?
The CAS number of 3-(Chloromethyl)-2-hydroxy-1,3-diazaspiro(4.5)dec-1-en-4-one is 880-47-7.
What is the molecular formula of 3-(Chloromethyl)-2-hydroxy-1,3-diazaspiro(4.5)dec-1-en-4-one?
The molecular formula of 3-(Chloromethyl)-2-hydroxy-1,3-diazaspiro(4.5)dec-1-en-4-one is C9H13ClN2O2.
What is the molecular weight of 3-(Chloromethyl)-2-hydroxy-1,3-diazaspiro(4.5)dec-1-en-4-one?
The molecular weight of 3-(Chloromethyl)-2-hydroxy-1,3-diazaspiro(4.5)dec-1-en-4-one is 216.07 g/mol.
Where can I buy 3-(Chloromethyl)-2-hydroxy-1,3-diazaspiro(4.5)dec-1-en-4-one?
You can request a quote for 3-(Chloromethyl)-2-hydroxy-1,3-diazaspiro(4.5)dec-1-en-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Chloromethyl)-2-hydroxy-1,3-diazaspiro(4.5)dec-1-en-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Chloromethyl)-2-hydroxy-1,3-diazaspiro(4.5)dec-1-en-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.