RefChem:862172
TL;DR: RefChem:862172 (CAS 68992-07-4) is a chemical compound with molecular formula C6H15NO8P2S and molecular weight 323.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1,1-dioxothiolan-3-yl)-(phosphonomethyl)amino]methylphosphonic acid
Also Known As: Tetrahydro-N,N-bis(phosphonomethyl)-3-thiophenamine 1,1-dioxide, Phosphonic acid, (((tetrahydro-1,1-dioxido-3-thienyl)imino)bis(methylene))bis-, Phosphonic acid, P,P'-(((tetrahydro-1,1-dioxido-3-thienyl)imino)bis(methylene))bis-, Phosphonic acid, [[(tetrahydro-1,1-dioxido-3-thienyl)imino]bis(methylene)]bis-, [(1,1-dioxothiolan-3-yl)-(phosphonomethyl)amino]methylphosphonic acid
| Molecular Formula | C6H15NO8P2S |
|---|---|
| Molecular Weight | 323.00 g/mol |
| LogP | -5.9 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.99936 |
| Heavy Atoms | 18 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 68992-07-4 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N(CP(=O)(O)O)CP(=O)(O)O |
| InChIKey | BQIVITALMXDPBY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:862172 (CAS 68992-07-4), with molecular formula C6H15NO8P2S and molecular weight 323.00 g/mol. IUPAC: [(1,1-dioxothiolan-3-yl)-(phosphonomethyl)amino]methylphosphonic acid.
Chemical Property Profile of RefChem:862172
Property Insights of RefChem:862172
The XLogP value of -5.9 indicates that RefChem:862172 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.0 Ų indicates high polarity, suggesting RefChem:862172 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:862172 has 4 hydrogen bond donor(s) and 9 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 RefChem:862172?
The CAS number of RefChem:862172 is 68992-07-4.
What is the molecular formula of RefChem:862172?
The molecular formula of RefChem:862172 is C6H15NO8P2S.
What is the molecular weight of RefChem:862172?
The molecular weight of RefChem:862172 is 323.00 g/mol.
Where can I buy RefChem:862172?
You can request a quote for RefChem:862172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:862172?
Yes, KEHONG BIO provides custom synthesis services for RefChem:862172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.