Dimethyl 3-chloro-1-hydroxy-3-(4-iodophenyl)-2-propenylphosphonate
TL;DR: Dimethyl 3-chloro-1-hydroxy-3-(4-iodophenyl)-2-propenylphosphonate (CAS 55338-94-8) is a chemical compound with molecular formula C11H13ClIO4P and molecular weight 401.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-chloro-1-dimethoxyphosphoryl-3-(4-iodophenyl)prop-2-en-1-ol
Also Known As: dimethyl 3-chloro-1-hydroxy-3-(4-iodophenyl)-2-propenylphosphonate, (Z)-3-chloro-1-dimethoxyphosphoryl-3-(4-iodophenyl)prop-2-en-1-ol, 3-chloro-1-dimethoxyphosphoryl-3-(4-iodophenyl)prop-2-en-1-ol, [(2Z)-3-chloro-1-hydroxy-3-(4-iodophenyl)prop-2-enyl]dimethoxyphosphino-1-one
| Molecular Formula | C11H13ClIO4P |
|---|---|
| Molecular Weight | 401.93 g/mol |
| LogP | 3.6752 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.92847 |
| Heavy Atoms | 18 |
| Complexity | 466.4365 |
Chemical Identifiers
| CAS Number | 55338-94-8 |
|---|---|
| SMILES | COP(=O)(C(/C=C(/C1=CC=C(C=C1)I)\Cl)O)OC |
Product Overview
Dimethyl 3-chloro-1-hydroxy-3-(4-iodophenyl)-2-propenylphosphonate (CAS 55338-94-8), with molecular formula C11H13ClIO4P and molecular weight 401.93 g/mol. IUPAC: (Z)-3-chloro-1-dimethoxyphosphoryl-3-(4-iodophenyl)prop-2-en-1-ol.
Chemical Property Profile of Dimethyl 3-chloro-1-hydroxy-3-(4-iodophenyl)-2-propenylphosphonate
Property Insights of Dimethyl 3-chloro-1-hydroxy-3-(4-iodophenyl)-2-propenylphosphonate
The XLogP value of 3.6752 indicates that Dimethyl 3-chloro-1-hydroxy-3-(4-iodophenyl)-2-propenylphosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.76 Ų, Dimethyl 3-chloro-1-hydroxy-3-(4-iodophenyl)-2-propenylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 3-chloro-1-hydroxy-3-(4-iodophenyl)-2-propenylphosphonate has 1 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 Dimethyl 3-chloro-1-hydroxy-3-(4-iodophenyl)-2-propenylphosphonate?
The CAS number of Dimethyl 3-chloro-1-hydroxy-3-(4-iodophenyl)-2-propenylphosphonate is 55338-94-8.
What is the molecular formula of Dimethyl 3-chloro-1-hydroxy-3-(4-iodophenyl)-2-propenylphosphonate?
The molecular formula of Dimethyl 3-chloro-1-hydroxy-3-(4-iodophenyl)-2-propenylphosphonate is C11H13ClIO4P.
What is the molecular weight of Dimethyl 3-chloro-1-hydroxy-3-(4-iodophenyl)-2-propenylphosphonate?
The molecular weight of Dimethyl 3-chloro-1-hydroxy-3-(4-iodophenyl)-2-propenylphosphonate is 401.93 g/mol.
Where can I buy Dimethyl 3-chloro-1-hydroxy-3-(4-iodophenyl)-2-propenylphosphonate?
You can request a quote for Dimethyl 3-chloro-1-hydroxy-3-(4-iodophenyl)-2-propenylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 3-chloro-1-hydroxy-3-(4-iodophenyl)-2-propenylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3-chloro-1-hydroxy-3-(4-iodophenyl)-2-propenylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.