替鲁膦酸
TL;DR: 替鲁膦酸 (CAS 89987-06-4) is a chemical compound with molecular formula C7H9ClO6P2S and molecular weight 317.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
替鲁膦酸
[(4-chlorophenyl)sulfanyl-phosphonomethyl]phosphonic acid
Also Known As: Tiludronic Acid, Tiludronate, Skelid, acpmd, Acide tiludronique
| Molecular Formula | C7H9ClO6P2S |
|---|---|
| Molecular Weight | 317.93 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.92838 |
| Heavy Atoms | 17 |
| Complexity | 324.0 |
| Solubility | 6.97e+00 g/L |
Chemical Identifiers
| CAS Number | 89987-06-4 |
|---|---|
| SMILES | C1=CC(=CC=C1SC(P(=O)(O)O)P(=O)(O)O)Cl |
| InChIKey | DKJJVAGXPKPDRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
替鲁膦酸 (CAS 89987-06-4), with molecular formula C7H9ClO6P2S and molecular weight 317.93 g/mol. IUPAC: [(4-chlorophenyl)sulfanyl-phosphonomethyl]phosphonic acid.
Chemical Property Profile of 替鲁膦酸
Property Insights of 替鲁膦酸
The XLogP value of -0.3 indicates that 替鲁膦酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 140.0 Ų indicates high polarity, suggesting 替鲁膦酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 替鲁膦酸 has 4 hydrogen bond donor(s) and 7 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 替鲁膦酸?
The CAS number of 替鲁膦酸 is 89987-06-4.
What is the molecular formula of 替鲁膦酸?
The molecular formula of 替鲁膦酸 is C7H9ClO6P2S.
What is the molecular weight of 替鲁膦酸?
The molecular weight of 替鲁膦酸 is 317.93 g/mol.
Where can I buy 替鲁膦酸?
You can request a quote for 替鲁膦酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 替鲁膦酸?
Yes, KEHONG BIO provides custom synthesis services for 替鲁膦酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.