Umifenovir hydrochloride monohydrate
TL;DR: Umifenovir hydrochloride monohydrate (CAS 131707-23-8) is a chemical compound with molecular formula C22H28BrClN2O4S and molecular weight 530.06415 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate;hydrate;hydrochloride
Also Known As: Arbidol, arbidole, umifenovir, Arbidol Hydrochloride, Arbidol Hydrochloride monohydrate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H28BrClN2O4S |
| Molecular Weight | 530.06415 g/mol |
| XLogP | 4.7741 |
| Topological Polar Surface Area (TPSA) | 81.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 530.06415 Da |
| Heavy Atoms | 31 |
| Complexity | 546.0 |
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC=CC=C3.O.Cl |
| InChIKey | PLWQHPWNKPKQJT-UHFFFAOYSA-N |
Chemical Property Profile of Umifenovir hydrochloride monohydrate
Property Insights of Umifenovir hydrochloride monohydrate
The XLogP value of 4.7741 indicates that Umifenovir hydrochloride monohydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Umifenovir hydrochloride monohydrate. Following Lipinski's Rule of Five, Umifenovir hydrochloride monohydrate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Umifenovir hydrochloride monohydrate?
The CAS number of Umifenovir hydrochloride monohydrate is 131707-23-8.
What is the molecular formula of Umifenovir hydrochloride monohydrate?
The molecular formula of Umifenovir hydrochloride monohydrate is C22H28BrClN2O4S.
What is the molecular weight of Umifenovir hydrochloride monohydrate?
The molecular weight of Umifenovir hydrochloride monohydrate is 530.06415 g/mol.
Where can I buy Umifenovir hydrochloride monohydrate?
You can request a quote for Umifenovir hydrochloride monohydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Umifenovir hydrochloride monohydrate?
Yes, CoreyChem provides custom synthesis services for Umifenovir hydrochloride monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.