Phosphoramidic acid, (4-(hydroxymethyl)-1,3-dithiol-2-ylidene)-, diethyl ester
TL;DR: Phosphoramidic acid, (4-(hydroxymethyl)-1,3-dithiol-2-ylidene)-, diethyl ester (CAS 63321-74-4) is a chemical compound with molecular formula C8H14NO4PS2 and molecular weight 283.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-diethoxyphosphorylimino-1,3-dithiol-4-yl]methanol
Also Known As: Aglycone 14b, (4-(Hydroxymethyl)-1,3-dithiol-2-ylidene)phosphoramidic acid diethyl ester, (Hydroxymethyl)vinylene(diethoxyphosphinyl)dithioimidocarbonate, Phosphoramidic acid, (4-(hydroxymethyl)-1,3-dithiol-2-ylidene)-, diethyl ester, [(2Z)-2-diethoxyphosphorylimino-1,3-dithiol-4-yl]methanol
| Molecular Formula | C8H14NO4PS2 |
|---|---|
| Molecular Weight | 283.01 g/mol |
| LogP | 2.3837 |
| Topological Polar Surface Area | 68.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 283.0102 |
| Heavy Atoms | 16 |
| Complexity | 417.67285 |
Chemical Identifiers
| CAS Number | 63321-74-4 |
|---|---|
| SMILES | CCOP(=O)(/N=C\1/SC=C(S1)CO)OCC |
Product Overview
Phosphoramidic acid, (4-(hydroxymethyl)-1,3-dithiol-2-ylidene)-, diethyl ester (CAS 63321-74-4), with molecular formula C8H14NO4PS2 and molecular weight 283.01 g/mol. IUPAC: [(2Z)-2-diethoxyphosphorylimino-1,3-dithiol-4-yl]methanol.
Chemical Property Profile of Phosphoramidic acid, (4-(hydroxymethyl)-1,3-dithiol-2-ylidene)-, diethyl ester
Property Insights of Phosphoramidic acid, (4-(hydroxymethyl)-1,3-dithiol-2-ylidene)-, diethyl ester
The XLogP value of 2.3837 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoramidic acid, (4-(hydroxymethyl)-1,3-dithiol-2-ylidene)-, diethyl ester. The TPSA of 68.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoramidic acid, (4-(hydroxymethyl)-1,3-dithiol-2-ylidene)-, diethyl ester. Following Lipinski's Rule of Five, Phosphoramidic acid, (4-(hydroxymethyl)-1,3-dithiol-2-ylidene)-, diethyl 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 Phosphoramidic acid, (4-(hydroxymethyl)-1,3-dithiol-2-ylidene)-, diethyl ester?
The CAS number of Phosphoramidic acid, (4-(hydroxymethyl)-1,3-dithiol-2-ylidene)-, diethyl ester is 63321-74-4.
What is the molecular formula of Phosphoramidic acid, (4-(hydroxymethyl)-1,3-dithiol-2-ylidene)-, diethyl ester?
The molecular formula of Phosphoramidic acid, (4-(hydroxymethyl)-1,3-dithiol-2-ylidene)-, diethyl ester is C8H14NO4PS2.
What is the molecular weight of Phosphoramidic acid, (4-(hydroxymethyl)-1,3-dithiol-2-ylidene)-, diethyl ester?
The molecular weight of Phosphoramidic acid, (4-(hydroxymethyl)-1,3-dithiol-2-ylidene)-, diethyl ester is 283.01 g/mol.
Where can I buy Phosphoramidic acid, (4-(hydroxymethyl)-1,3-dithiol-2-ylidene)-, diethyl ester?
You can request a quote for Phosphoramidic acid, (4-(hydroxymethyl)-1,3-dithiol-2-ylidene)-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoramidic acid, (4-(hydroxymethyl)-1,3-dithiol-2-ylidene)-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoramidic acid, (4-(hydroxymethyl)-1,3-dithiol-2-ylidene)-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.