Phosphonic acid, ((4-(((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)amino)phenyl)methyl)-, diethyl ester
TL;DR: Phosphonic acid, ((4-(((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)amino)phenyl)methyl)-, diethyl ester (CAS 131007-47-1) is a chemical compound with molecular formula C27H34NO5PS and molecular weight 515.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-cyclohexyl-N-[4-(diethoxyphosphorylmethyl)phenyl]-4-oxo-1H-isothiochromene-1-carboxamide
Also Known As: Phosphonic acid, ((4-(((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)amino)phenyl)methyl)-, diethyl ester, 6-cyclohexyl-N-[4-(diethoxyphosphorylmethyl)phenyl]-4-oxo-1H-isothiochromene-1-carboxamide, 6-cyclohexyl-N-[4-(diethoxyphosphorylmethyl)phenyl]-4-oxo-isothiochroman-1-carboxamide, Diethyl ({4-[(6-cyclohexyl-4-oxo-3,4-dihydro-1H-2-benzothiopyran-1-carbonyl)amino]phenyl}methyl)phosphonate, Diethyl {[4-(6-cyclohexyl-4-oxo-3,4-dihydro-1H-2-benzothiopyran-1-carboxamido)phenyl]methyl}phosphonate
| Molecular Formula | C27H34NO5PS |
|---|---|
| Molecular Weight | 515.19 g/mol |
| LogP | 7.1097 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 515.1895 |
| Heavy Atoms | 35 |
| Complexity | 1087.2505 |
Chemical Identifiers
| CAS Number | 131007-47-1 |
|---|---|
| SMILES | CCOP(=O)(CC1=CC=C(C=C1)NC(=O)C2C3=C(C=C(C=C3)C4CCCCC4)C(=O)CS2)OCC |
Product Overview
Phosphonic acid, ((4-(((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)amino)phenyl)methyl)-, diethyl ester (CAS 131007-47-1), with molecular formula C27H34NO5PS and molecular weight 515.19 g/mol. IUPAC: 6-cyclohexyl-N-[4-(diethoxyphosphorylmethyl)phenyl]-4-oxo-1H-isothiochromene-1-carboxamide.
Chemical Property Profile of Phosphonic acid, ((4-(((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)amino)phenyl)methyl)-, diethyl ester
Property Insights of Phosphonic acid, ((4-(((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)amino)phenyl)methyl)-, diethyl ester
The XLogP value of 7.1097 indicates that Phosphonic acid, ((4-(((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)amino)phenyl)methyl)-, diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, ((4-(((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)amino)phenyl)methyl)-, diethyl ester. Following Lipinski's Rule of Five, Phosphonic acid, ((4-(((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)amino)phenyl)methyl)-, diethyl ester has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphonic acid, ((4-(((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)amino)phenyl)methyl)-, diethyl ester?
The CAS number of Phosphonic acid, ((4-(((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)amino)phenyl)methyl)-, diethyl ester is 131007-47-1.
What is the molecular formula of Phosphonic acid, ((4-(((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)amino)phenyl)methyl)-, diethyl ester?
The molecular formula of Phosphonic acid, ((4-(((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)amino)phenyl)methyl)-, diethyl ester is C27H34NO5PS.
What is the molecular weight of Phosphonic acid, ((4-(((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)amino)phenyl)methyl)-, diethyl ester?
The molecular weight of Phosphonic acid, ((4-(((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)amino)phenyl)methyl)-, diethyl ester is 515.19 g/mol.
Where can I buy Phosphonic acid, ((4-(((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)amino)phenyl)methyl)-, diethyl ester?
You can request a quote for Phosphonic acid, ((4-(((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)amino)phenyl)methyl)-, diethyl 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, ((4-(((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)amino)phenyl)methyl)-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, ((4-(((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)amino)phenyl)methyl)-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.