(-)-Roemeridine
TL;DR: (-)-Roemeridine (CAS 122890-33-9) is a chemical compound with molecular formula C31H39N3O5 and molecular weight 533.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: (-)-Roemeridine, NCI60_008409, (1'S,1''R,3'R)-3',5,6'',7''-Tetramethoxy-1-methyl-2,2'',3,3'',4'',8,8a,9''-octahydro-1H-dispiro[cyclopenta[ij]isoquinoline-7,1'-cyclohexane-4',1''-pyrido[3,4-b]indol]-6-ol, RefChem:67942
| Molecular Formula | C31H39N3O5 |
|---|---|
| Molecular Weight | 533.29 g/mol |
| LogP | 4.3099 |
| Topological Polar Surface Area | 88.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 533.289 |
| Heavy Atoms | 39 |
| Complexity | 1466.656 |
Chemical Identifiers
| CAS Number | 122890-33-9 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2C1C[C@]34CC[C@]5([C@@H](C4)OC)C6=C(CCN5)C7=CC(=C(C=C7N6)OC)OC)O)OC |
Product Overview
(-)-Roemeridine (CAS 122890-33-9), with molecular formula C31H39N3O5 and molecular weight 533.29 g/mol.
Chemical Property Profile of (-)-Roemeridine
Property Insights of (-)-Roemeridine
The XLogP value of 4.3099 indicates that (-)-Roemeridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.21 Ų falls within the moderate polarity range, balancing permeability and solubility for (-)-Roemeridine. Following Lipinski's Rule of Five, (-)-Roemeridine has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (-)-Roemeridine?
The CAS number of (-)-Roemeridine is 122890-33-9.
What is the molecular formula of (-)-Roemeridine?
The molecular formula of (-)-Roemeridine is C31H39N3O5.
What is the molecular weight of (-)-Roemeridine?
The molecular weight of (-)-Roemeridine is 533.29 g/mol.
Where can I buy (-)-Roemeridine?
You can request a quote for (-)-Roemeridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-Roemeridine?
Yes, KEHONG BIO provides custom synthesis services for (-)-Roemeridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.