Phosphonic acid, (2-oxo-3-tetrahydrothienyl)-, dibenzyl ester
TL;DR: Phosphonic acid, (2-oxo-3-tetrahydrothienyl)-, dibenzyl ester (CAS 73805-83-1) is a chemical compound with molecular formula C18H20NO4PS and molecular weight 377.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[bis(phenylmethoxy)phosphorylamino]thiolan-2-one
Also Known As: Phosphonic acid, dibenzyl ester, 3-[bis(phenylmethoxy)phosphorylamino]thiolan-2-one, Phosphonic acid, (2-oxo-3-tetrahydrothienyl)-, dibenzyl ester, Phosphoramidic acid, bis(phenylmethyl) ester, O,O'-Dibenzyl-4-mercapto-2-phosphonaminobutyric acid lactone
| Molecular Formula | C18H20NO4PS |
|---|---|
| Molecular Weight | 377.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 377.08505 |
| Heavy Atoms | 25 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 73805-83-1 |
|---|---|
| SMILES | C1CSC(=O)C1NP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3 |
| InChIKey | HJZKRKJNSYCZJW-UHFFFAOYSA-N |
Product Overview
Phosphonic acid, (2-oxo-3-tetrahydrothienyl)-, dibenzyl ester (CAS 73805-83-1), with molecular formula C18H20NO4PS and molecular weight 377.09 g/mol. IUPAC: 3-[bis(phenylmethoxy)phosphorylamino]thiolan-2-one.
Chemical Property Profile of Phosphonic acid, (2-oxo-3-tetrahydrothienyl)-, dibenzyl ester
Property Insights of Phosphonic acid, (2-oxo-3-tetrahydrothienyl)-, dibenzyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, (2-oxo-3-tetrahydrothienyl)-, dibenzyl ester. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, (2-oxo-3-tetrahydrothienyl)-, dibenzyl ester. Following Lipinski's Rule of Five, Phosphonic acid, (2-oxo-3-tetrahydrothienyl)-, dibenzyl ester has 1 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 Phosphonic acid, (2-oxo-3-tetrahydrothienyl)-, dibenzyl ester?
The CAS number of Phosphonic acid, (2-oxo-3-tetrahydrothienyl)-, dibenzyl ester is 73805-83-1.
What is the molecular formula of Phosphonic acid, (2-oxo-3-tetrahydrothienyl)-, dibenzyl ester?
The molecular formula of Phosphonic acid, (2-oxo-3-tetrahydrothienyl)-, dibenzyl ester is C18H20NO4PS.
What is the molecular weight of Phosphonic acid, (2-oxo-3-tetrahydrothienyl)-, dibenzyl ester?
The molecular weight of Phosphonic acid, (2-oxo-3-tetrahydrothienyl)-, dibenzyl ester is 377.09 g/mol.
Where can I buy Phosphonic acid, (2-oxo-3-tetrahydrothienyl)-, dibenzyl ester?
You can request a quote for Phosphonic acid, (2-oxo-3-tetrahydrothienyl)-, dibenzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, (2-oxo-3-tetrahydrothienyl)-, dibenzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (2-oxo-3-tetrahydrothienyl)-, dibenzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.