Phosphorothioic acid, S-2,7-diaminoheptyl ester
TL;DR: Phosphorothioic acid, S-2,7-diaminoheptyl ester (CAS 78218-99-2) is a chemical compound with molecular formula C7H19N2O3PS and molecular weight 242.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-diaminoheptylsulfanylphosphonic acid
Also Known As: S-2,7-Diaminoheptyl dihydrogen phosphorothioate, 2,7-diaminoheptylsulfanylphosphonic acid, Phosphorothioic acid, S-2,7-diaminoheptyl ester, [(2,7-diaminoheptyl)sulfanyl]phosphonic acid, S-(2,7-Diaminoheptyl) dihydrogen phosphorothioate
| Molecular Formula | C7H19N2O3PS |
|---|---|
| Molecular Weight | 242.09 g/mol |
| LogP | 0.6587 |
| Topological Polar Surface Area | 109.57 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 242.0854 |
| Heavy Atoms | 14 |
| Complexity | 187.77373 |
Chemical Identifiers
| CAS Number | 78218-99-2 |
|---|---|
| SMILES | C(CCC(CSP(=O)(O)O)N)CCN |
Product Overview
Phosphorothioic acid, S-2,7-diaminoheptyl ester (CAS 78218-99-2), with molecular formula C7H19N2O3PS and molecular weight 242.09 g/mol. IUPAC: 2,7-diaminoheptylsulfanylphosphonic acid.
Chemical Property Profile of Phosphorothioic acid, S-2,7-diaminoheptyl ester
Property Insights of Phosphorothioic acid, S-2,7-diaminoheptyl ester
The XLogP value of 0.6587 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, S-2,7-diaminoheptyl ester. The TPSA of 109.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, S-2,7-diaminoheptyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, S-2,7-diaminoheptyl ester has 4 hydrogen bond donor(s) and 4 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 Phosphorothioic acid, S-2,7-diaminoheptyl ester?
The CAS number of Phosphorothioic acid, S-2,7-diaminoheptyl ester is 78218-99-2.
What is the molecular formula of Phosphorothioic acid, S-2,7-diaminoheptyl ester?
The molecular formula of Phosphorothioic acid, S-2,7-diaminoheptyl ester is C7H19N2O3PS.
What is the molecular weight of Phosphorothioic acid, S-2,7-diaminoheptyl ester?
The molecular weight of Phosphorothioic acid, S-2,7-diaminoheptyl ester is 242.09 g/mol.
Where can I buy Phosphorothioic acid, S-2,7-diaminoheptyl ester?
You can request a quote for Phosphorothioic acid, S-2,7-diaminoheptyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, S-2,7-diaminoheptyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, S-2,7-diaminoheptyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.