Spiradoline Mesylate
TL;DR: Spiradoline Mesylate (CAS 87173-97-5) is a chemical compound with molecular formula C23H34Cl2N2O5S and molecular weight 520.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dichlorophenyl)-N-methyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;methanesulfonic acid
Also Known As: SPIRADOLINE MESYLATE, Espiradolina, Spiradolinum, Spiradoline mesilate, U-62066 (mesylate)
| Molecular Formula | C23H34Cl2N2O5S |
|---|---|
| Molecular Weight | 520.16 g/mol |
| LogP | 4.06 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 520.15656 |
| Heavy Atoms | 33 |
| Complexity | 649.0 |
Chemical Identifiers
| CAS Number | 87173-97-5 |
|---|---|
| SMILES | CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N3CCCC3)C(=O)CC4=CC(=C(C=C4)Cl)Cl.CS(=O)(=O)O |
| InChIKey | FHEZDPDAYTVKKG-JLBKCEDKSA-N |
Product Overview
Spiradoline Mesylate (CAS 87173-97-5), with molecular formula C23H34Cl2N2O5S and molecular weight 520.16 g/mol. IUPAC: 2-(3,4-dichlorophenyl)-N-methyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;methanesulfonic acid.
Chemical Property Profile of Spiradoline Mesylate
Property Insights of Spiradoline Mesylate
The XLogP value of 4.06 indicates that Spiradoline Mesylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Spiradoline Mesylate. Following Lipinski's Rule of Five, Spiradoline Mesylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Spiradoline Mesylate?
The CAS number of Spiradoline Mesylate is 87173-97-5.
What is the molecular formula of Spiradoline Mesylate?
The molecular formula of Spiradoline Mesylate is C23H34Cl2N2O5S.
What is the molecular weight of Spiradoline Mesylate?
The molecular weight of Spiradoline Mesylate is 520.16 g/mol.
Where can I buy Spiradoline Mesylate?
You can request a quote for Spiradoline Mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiradoline Mesylate?
Yes, KEHONG BIO provides custom synthesis services for Spiradoline Mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.