Benfosformin hydrate
TL;DR: Benfosformin hydrate (CAS 52658-53-4) is a chemical compound with molecular formula C9H14N5Na2O4P and molecular weight 333.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;1-(N'-benzylcarbamimidoyl)-2-phosphonatoguanidine;hydrate
Also Known As: Benfosformin, benfosformin hydrate, disodium;1-(N'-benzylcarbamimidoyl)-2-phosphonatoguanidine;hydrate
| Molecular Formula | C9H14N5Na2O4P |
|---|---|
| Molecular Weight | 333.06 g/mol |
| LogP | -8.5824 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.0579 |
| Heavy Atoms | 21 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 52658-53-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN=C(N)NC(=NP(=O)([O-])[O-])N.O.[Na+].[Na+] |
| InChIKey | HFSIAOCWRILWLY-UHFFFAOYSA-L |
Product Overview
Benfosformin hydrate (CAS 52658-53-4), with molecular formula C9H14N5Na2O4P and molecular weight 333.06 g/mol. IUPAC: disodium;1-(N'-benzylcarbamimidoyl)-2-phosphonatoguanidine;hydrate.
Chemical Property Profile of Benfosformin hydrate
Property Insights of Benfosformin hydrate
The XLogP value of -8.5824 indicates that Benfosformin hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 153.0 Ų indicates high polarity, suggesting Benfosformin hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benfosformin hydrate has 4 hydrogen bond donor(s) and 6 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 Benfosformin hydrate?
The CAS number of Benfosformin hydrate is 52658-53-4.
What is the molecular formula of Benfosformin hydrate?
The molecular formula of Benfosformin hydrate is C9H14N5Na2O4P.
What is the molecular weight of Benfosformin hydrate?
The molecular weight of Benfosformin hydrate is 333.06 g/mol.
Where can I buy Benfosformin hydrate?
You can request a quote for Benfosformin hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benfosformin hydrate?
Yes, KEHONG BIO provides custom synthesis services for Benfosformin hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.