RefChem:1095404
TL;DR: RefChem:1095404 (CAS 2673-67-8) is a chemical compound with molecular formula C7H14NO6P and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-4-(hydroxymethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate
Also Known As: Crotonamide, 3-hydroxy-N-(hydroxymethyl)-, dimethylphosphate, (E)-, Phosphoric acid, dimethyl ester, 3-ester with 3-hydroxy-N-(hydroxymethyl)crotonamide, (E)-, Phosphoric acid, 3-(hydroxymethylamino)-1-methyl-3-oxo-1-propenyl dimethyl ester, [(E)-4-(hydroxymethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate, RefChem:1095404
| Molecular Formula | C7H14NO6P |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 0.3737 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 239.05588 |
| Heavy Atoms | 15 |
| Complexity | 281.205 |
Chemical Identifiers
| CAS Number | 2673-67-8 |
|---|---|
| SMILES | C/C(=C\C(=O)NCO)/OP(=O)(OC)OC |
Product Overview
RefChem:1095404 (CAS 2673-67-8), with molecular formula C7H14NO6P and molecular weight 239.06 g/mol. IUPAC: [(E)-4-(hydroxymethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate.
Chemical Property Profile of RefChem:1095404
Property Insights of RefChem:1095404
The XLogP value of 0.3737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1095404. The TPSA of 94.09 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095404. Following Lipinski's Rule of Five, RefChem:1095404 has 2 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 RefChem:1095404?
The CAS number of RefChem:1095404 is 2673-67-8.
What is the molecular formula of RefChem:1095404?
The molecular formula of RefChem:1095404 is C7H14NO6P.
What is the molecular weight of RefChem:1095404?
The molecular weight of RefChem:1095404 is 239.06 g/mol.
Where can I buy RefChem:1095404?
You can request a quote for RefChem:1095404 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095404?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095404 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.