RefChem:1095371
TL;DR: RefChem:1095371 (CAS 2673-65-6) is a chemical compound with molecular formula C8H16NO6P and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-4-[hydroxymethyl(methyl)amino]-4-oxobut-2-en-2-yl] dimethyl phosphate
Also Known As: Crotonamide, 3-hydroxy-N-(hydroxymethyl)-N-methyl-, dimethylphosphate, (E)-, Phosphoric acid, dimethyl ester, 3-ester with 3-hydroxy-N-(hydroxymethyl)-N-methylcrotonamide,(E)-, Phosphoric acid, 3-((hydroxymethyl)methylamino)-1-methyl-3-oxo-1-propenyl dimethyl ester (E)-, (2E)-4-[(Hydroxymethyl)(methyl)amino]-4-oxobut-2-en-2-yl dimethyl phosphate, [(E)-4-[hydroxymethyl(methyl)amino]-4-oxobut-2-en-2-yl] dimethyl phosphate
| Molecular Formula | C8H16NO6P |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 0.7159 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.07152 |
| Heavy Atoms | 16 |
| Complexity | 307.6504 |
Chemical Identifiers
| CAS Number | 2673-65-6 |
|---|---|
| SMILES | C/C(=C\C(=O)N(C)CO)/OP(=O)(OC)OC |
Product Overview
RefChem:1095371 (CAS 2673-65-6), with molecular formula C8H16NO6P and molecular weight 253.07 g/mol. IUPAC: [(E)-4-[hydroxymethyl(methyl)amino]-4-oxobut-2-en-2-yl] dimethyl phosphate.
Chemical Property Profile of RefChem:1095371
Property Insights of RefChem:1095371
The XLogP value of 0.7159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1095371. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095371. Following Lipinski's Rule of Five, RefChem:1095371 has 1 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:1095371?
The CAS number of RefChem:1095371 is 2673-65-6.
What is the molecular formula of RefChem:1095371?
The molecular formula of RefChem:1095371 is C8H16NO6P.
What is the molecular weight of RefChem:1095371?
The molecular weight of RefChem:1095371 is 253.07 g/mol.
Where can I buy RefChem:1095371?
You can request a quote for RefChem:1095371 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095371?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095371 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.