Crotonic acid, 3-hydroxy-, methyl ester, 2,3-dichloropropyl isopropyl phosphate
TL;DR: Crotonic acid, 3-hydroxy-, methyl ester, 2,3-dichloropropyl isopropyl phosphate (CAS 64011-85-4) is a chemical compound with molecular formula C11H19Cl2O6P and molecular weight 348.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-3-[2,3-dichloropropoxy(propan-2-yloxy)phosphoryl]oxybut-2-enoate
Also Known As: Shell SD-3958, ENT 25,571, CROTONIC ACID, 3-HYDROXY-, METHYL ESTER, 2,3-DICHLOROPROPYL ISOPROPYL PHOSPHATE, 2-Butenoic acid, 3-[[(2,3-dichloropropoxy)(1-methylethoxy)phosphinyl]oxy]-, methyl ester, 2-Butenoic acid,3-[[(2,3-dichloropropoxy)(1-methylethoxy)phosphinyl]oxy]-, methyl ester
| Molecular Formula | C11H19Cl2O6P |
|---|---|
| Molecular Weight | 348.03 g/mol |
| LogP | 3.4757 |
| Topological Polar Surface Area | 71.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 348.02963 |
| Heavy Atoms | 20 |
| Complexity | 385.10965 |
Chemical Identifiers
| CAS Number | 64011-85-4 |
|---|---|
| SMILES | CC(C)OP(=O)(OCC(CCl)Cl)O/C(=C\C(=O)OC)/C |
Product Overview
Crotonic acid, 3-hydroxy-, methyl ester, 2,3-dichloropropyl isopropyl phosphate (CAS 64011-85-4), with molecular formula C11H19Cl2O6P and molecular weight 348.03 g/mol. IUPAC: methyl (Z)-3-[2,3-dichloropropoxy(propan-2-yloxy)phosphoryl]oxybut-2-enoate.
Chemical Property Profile of Crotonic acid, 3-hydroxy-, methyl ester, 2,3-dichloropropyl isopropyl phosphate
Property Insights of Crotonic acid, 3-hydroxy-, methyl ester, 2,3-dichloropropyl isopropyl phosphate
The XLogP value of 3.4757 indicates that Crotonic acid, 3-hydroxy-, methyl ester, 2,3-dichloropropyl isopropyl phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Crotonic acid, 3-hydroxy-, methyl ester, 2,3-dichloropropyl isopropyl phosphate. Following Lipinski's Rule of Five, Crotonic acid, 3-hydroxy-, methyl ester, 2,3-dichloropropyl isopropyl phosphate has 0 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 Crotonic acid, 3-hydroxy-, methyl ester, 2,3-dichloropropyl isopropyl phosphate?
The CAS number of Crotonic acid, 3-hydroxy-, methyl ester, 2,3-dichloropropyl isopropyl phosphate is 64011-85-4.
What is the molecular formula of Crotonic acid, 3-hydroxy-, methyl ester, 2,3-dichloropropyl isopropyl phosphate?
The molecular formula of Crotonic acid, 3-hydroxy-, methyl ester, 2,3-dichloropropyl isopropyl phosphate is C11H19Cl2O6P.
What is the molecular weight of Crotonic acid, 3-hydroxy-, methyl ester, 2,3-dichloropropyl isopropyl phosphate?
The molecular weight of Crotonic acid, 3-hydroxy-, methyl ester, 2,3-dichloropropyl isopropyl phosphate is 348.03 g/mol.
Where can I buy Crotonic acid, 3-hydroxy-, methyl ester, 2,3-dichloropropyl isopropyl phosphate?
You can request a quote for Crotonic acid, 3-hydroxy-, methyl ester, 2,3-dichloropropyl isopropyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotonic acid, 3-hydroxy-, methyl ester, 2,3-dichloropropyl isopropyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Crotonic acid, 3-hydroxy-, methyl ester, 2,3-dichloropropyl isopropyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.