cis-Crotonic acid, 3-hydroxy-, dimethyl phosphate
TL;DR: cis-Crotonic acid, 3-hydroxy-, dimethyl phosphate (CAS 21300-86-7) is a chemical compound with molecular formula C6H11O6P and molecular weight 210.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-dimethoxyphosphoryloxybut-2-enoic acid
Also Known As: cis-2-Carboxy-1-methylvinyl dimethylphosphate, (E)-3-dimethoxyphosphoryloxybut-2-enoic acid, (Z)-3-(Dimethoxyphosphinyloxy)-2-butenoic acid, cis-CROTONIC ACID, 3-HYDROXY-, DIMETHYL PHOSPHATE, Pentanedioic acid, bis(2-ethylhexyl) ester
| Molecular Formula | C6H11O6P |
|---|---|
| Molecular Weight | 210.03 g/mol |
| LogP | 1.3923 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.02933 |
| Heavy Atoms | 13 |
| Complexity | 249.8501 |
Chemical Identifiers
| CAS Number | 21300-86-7 |
|---|---|
| SMILES | C/C(=C\C(=O)O)/OP(=O)(OC)OC |
Product Overview
cis-Crotonic acid, 3-hydroxy-, dimethyl phosphate (CAS 21300-86-7), with molecular formula C6H11O6P and molecular weight 210.03 g/mol. IUPAC: (E)-3-dimethoxyphosphoryloxybut-2-enoic acid.
Chemical Property Profile of cis-Crotonic acid, 3-hydroxy-, dimethyl phosphate
Property Insights of cis-Crotonic acid, 3-hydroxy-, dimethyl phosphate
The XLogP value of 1.3923 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-Crotonic acid, 3-hydroxy-, dimethyl phosphate. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for cis-Crotonic acid, 3-hydroxy-, dimethyl phosphate. Following Lipinski's Rule of Five, cis-Crotonic acid, 3-hydroxy-, dimethyl phosphate has 1 hydrogen bond donor(s) and 5 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 cis-Crotonic acid, 3-hydroxy-, dimethyl phosphate?
The CAS number of cis-Crotonic acid, 3-hydroxy-, dimethyl phosphate is 21300-86-7.
What is the molecular formula of cis-Crotonic acid, 3-hydroxy-, dimethyl phosphate?
The molecular formula of cis-Crotonic acid, 3-hydroxy-, dimethyl phosphate is C6H11O6P.
What is the molecular weight of cis-Crotonic acid, 3-hydroxy-, dimethyl phosphate?
The molecular weight of cis-Crotonic acid, 3-hydroxy-, dimethyl phosphate is 210.03 g/mol.
Where can I buy cis-Crotonic acid, 3-hydroxy-, dimethyl phosphate?
You can request a quote for cis-Crotonic acid, 3-hydroxy-, dimethyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-Crotonic acid, 3-hydroxy-, dimethyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for cis-Crotonic acid, 3-hydroxy-, dimethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.