Naloxone-6-spirohydantoin
TL;DR: Naloxone-6-spirohydantoin (CAS 87872-71-7) is a chemical compound with molecular formula C21H22N3O5+ and molecular weight 396.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,7aR)-4a,9-dihydroxy-3-prop-2-enylspiro[1,4,5,6,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7,5'-imidazolidine]-2',4'-dione
Also Known As: Naloxone-6-spirohydantoin, 2,4'a,5,9'-Tetrahydroxy-3'-(prop-2-en-1-yl)-4',4'a,5',6'-tetrahydro-1'H,7'aH-spiro[imidazole-4,7'-[4,12]methano[1]benzofuro[3,2-e]isoquinoline], (4'S,7'aR)-2,4'a,5,9'-Tetrahydroxy-3'-(prop-2-en-1-yl)-4',4'a,5',6'-tetrahydro-1'H,7'aH-spiro[imidazole-4,7'-[4,12]methano[1]benzofuro[3,2-e]isoquinoline]
| Molecular Formula | C21H22N3O5+ |
|---|---|
| Molecular Weight | 396.16 g/mol |
| LogP | 0.0918 |
| Topological Polar Surface Area | 110.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 396.15594 |
| Heavy Atoms | 29 |
| Complexity | 1050.9973 |
Chemical Identifiers
| CAS Number | 87872-71-7 |
|---|---|
| SMILES | C=CC[N+]1=CCC23[C@@H]4C5(CCC2([C@@H]1CC6=C3C(=C(C=C6)O)O4)O)C(=O)NC(=O)N5 |
Product Overview
Naloxone-6-spirohydantoin (CAS 87872-71-7), with molecular formula C21H22N3O5+ and molecular weight 396.16 g/mol. IUPAC: (4S,7aR)-4a,9-dihydroxy-3-prop-2-enylspiro[1,4,5,6,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7,5'-imidazolidine]-2',4'-dione.
Chemical Property Profile of Naloxone-6-spirohydantoin
Property Insights of Naloxone-6-spirohydantoin
The XLogP value of 0.0918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Naloxone-6-spirohydantoin. The TPSA of 110.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Naloxone-6-spirohydantoin. Following Lipinski's Rule of Five, Naloxone-6-spirohydantoin has 4 hydrogen bond donor(s) and 5 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 Naloxone-6-spirohydantoin?
The CAS number of Naloxone-6-spirohydantoin is 87872-71-7.
What is the molecular formula of Naloxone-6-spirohydantoin?
The molecular formula of Naloxone-6-spirohydantoin is C21H22N3O5+.
What is the molecular weight of Naloxone-6-spirohydantoin?
The molecular weight of Naloxone-6-spirohydantoin is 396.16 g/mol.
Where can I buy Naloxone-6-spirohydantoin?
You can request a quote for Naloxone-6-spirohydantoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naloxone-6-spirohydantoin?
Yes, KEHONG BIO provides custom synthesis services for Naloxone-6-spirohydantoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.