Spirolucidine
TL;DR: Spirolucidine (CAS 89647-79-0) is a chemical compound with molecular formula C30H49N3O2 and molecular weight 483.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4S,6R,6'R,8S,9R,11S)-6'-[[(4aR,5R,7S,8aS)-1-acetyl-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl]methyl]-3,6-dimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]-3'-one
Also Known As: Spirolucidine, J2.771.358K, (1R,4S,6R,6'R,8S,9R,11S)-6'-[[(4aR,5R,7S,8aS)-1-acetyl-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl]methyl]-3,6-dimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]-3'-one, (1R,2S,4S,6R,6'R,8S,9R)-6'-{[(4aR,5R,7S,8aS)-1-acetyl-7-methyldecahydroquinolin-5-yl]methyl}-6,12-dimethyl-3'H-spiro[12-azatricyclo[6.2.2.0(4,9)]dodecane-2,2'-piperidin]-3'-one, (1'R,2S,4'S,6R,6'R,8'S,9'R)-6-{[(4aR,5R,7S,8aS)-1-acetyl-7-methyl-decahydroquinolin-5-yl]methyl}-6',12'-dimethyl-12'-azaspiro[piperidine-2,2'-tricyclo[6.2.2.04,9]dodecan]-3-one
| Molecular Formula | C30H49N3O2 |
|---|---|
| Molecular Weight | 483.38 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 483.38248 |
| Heavy Atoms | 35 |
| Complexity | 845.0 |
Chemical Identifiers
| CAS Number | 89647-79-0 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2C[C@]3([C@@H]4C[C@H]2[C@H](C1)N(C4)C)C(=O)CC[C@@H](N3)C[C@H]5C[C@@H](C[C@H]6[C@@H]5CCCN6C(=O)C)C |
| InChIKey | DOAGKNAZGHOTJU-PALKDTOHSA-N |
Product Overview
Spirolucidine (CAS 89647-79-0), with molecular formula C30H49N3O2 and molecular weight 483.38 g/mol. IUPAC: (1R,4S,6R,6'R,8S,9R,11S)-6'-[[(4aR,5R,7S,8aS)-1-acetyl-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl]methyl]-3,6-dimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]-3'-one.
Chemical Property Profile of Spirolucidine
Property Insights of Spirolucidine
The XLogP value of 4.6 indicates that Spirolucidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.7 Ų, Spirolucidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spirolucidine has 1 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 Spirolucidine?
The CAS number of Spirolucidine is 89647-79-0.
What is the molecular formula of Spirolucidine?
The molecular formula of Spirolucidine is C30H49N3O2.
What is the molecular weight of Spirolucidine?
The molecular weight of Spirolucidine is 483.38 g/mol.
Where can I buy Spirolucidine?
You can request a quote for Spirolucidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spirolucidine?
Yes, KEHONG BIO provides custom synthesis services for Spirolucidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.