Fiduxosin Hydrochloride
TL;DR: Fiduxosin Hydrochloride (CAS 208995-96-4) is a chemical compound with molecular formula C30H30ClN5O4S and molecular weight 591.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-[(3aR,9bR)-9-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]butyl]-12-phenyl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-4,6-dione;hydrochloride
Also Known As: Fiduxosin hydrochloride, Fiduxosin HCl, Fiduxosin (hydrochloride), Fiduxosin hydrochloride (USAN), Fiduxosin hydrochloride [USAN]
| Molecular Formula | C30H30ClN5O4S |
|---|---|
| Molecular Weight | 591.17 g/mol |
| LogP | 4.6801 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 591.1707 |
| Heavy Atoms | 41 |
| Complexity | 936.0 |
Chemical Identifiers
| CAS Number | 208995-96-4 |
|---|---|
| SMILES | COC1=CC=CC2=C1[C@@H]3CN(C[C@@H]3CO2)CCCCN4C(=O)C5=C(C6=NC(=CN=C6S5)C7=CC=CC=C7)NC4=O.Cl |
| InChIKey | OFPMGRPQOZABPO-GZJHNZOKSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Fiduxosin Hydrochloride (CAS 208995-96-4), with molecular formula C30H30ClN5O4S and molecular weight 591.17 g/mol. IUPAC: 5-[4-[(3aR,9bR)-9-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]butyl]-12-phenyl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-4,6-dione;hydrochloride.
Chemical Property Profile of Fiduxosin Hydrochloride
Property Insights of Fiduxosin Hydrochloride
The XLogP value of 4.6801 indicates that Fiduxosin Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Fiduxosin Hydrochloride. Following Lipinski's Rule of Five, Fiduxosin Hydrochloride has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Fiduxosin Hydrochloride?
The CAS number of Fiduxosin Hydrochloride is 208995-96-4.
What is the molecular formula of Fiduxosin Hydrochloride?
The molecular formula of Fiduxosin Hydrochloride is C30H30ClN5O4S.
What is the molecular weight of Fiduxosin Hydrochloride?
The molecular weight of Fiduxosin Hydrochloride is 591.17 g/mol.
Where can I buy Fiduxosin Hydrochloride?
You can request a quote for Fiduxosin Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fiduxosin Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Fiduxosin Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.