Spiramine A
TL;DR: Spiramine A (CAS 114531-28-1) is a chemical compound with molecular formula C24H33NO4 and molecular weight 399.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,3S,5S,7R,8R,12R,13R,18R,21R)-12-methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-3-yl] acetate
Also Known As: Spiramine A, Spiraenine A, Spiramine B, [(1R,2R,3S,5S,7R,8R,12R,13R,18R,21R)-12-methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-3-yl] acetate, (1R,2R,3S,5S,7R,8R,12R,13R,18R,21R)-12-methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-3-yl acetate
| Molecular Formula | C24H33NO4 |
|---|---|
| Molecular Weight | 399.24 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 399.24097 |
| Heavy Atoms | 29 |
| Complexity | 813.0 |
Chemical Identifiers
| CAS Number | 114531-28-1 |
|---|---|
| SMILES | CC(=O)O[C@H]1C(=C)[C@H]2CC[C@]13[C@@H](C2)[C@]45CCC[C@@]6([C@H]4C[C@H]3O[C@H]5N7[C@@H]6OCC7)C |
| InChIKey | ZPELMDXCJZDIBP-OWOZRORESA-N |
Product Overview
Spiramine A (CAS 114531-28-1), with molecular formula C24H33NO4 and molecular weight 399.24 g/mol. IUPAC: [(1R,2R,3S,5S,7R,8R,12R,13R,18R,21R)-12-methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-3-yl] acetate.
Chemical Property Profile of Spiramine A
Property Insights of Spiramine A
The XLogP value of 3.5 indicates that Spiramine A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, Spiramine A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiramine A has 0 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 Spiramine A?
The CAS number of Spiramine A is 114531-28-1.
What is the molecular formula of Spiramine A?
The molecular formula of Spiramine A is C24H33NO4.
What is the molecular weight of Spiramine A?
The molecular weight of Spiramine A is 399.24 g/mol.
Where can I buy Spiramine A?
You can request a quote for Spiramine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiramine A?
Yes, KEHONG BIO provides custom synthesis services for Spiramine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.