1-(2,4-Dimethoxy-phenyl)-butan-1-ol
TL;DR: 1-(2,4-Dimethoxy-phenyl)-butan-1-ol (CAS 117707-12-7) is a chemical compound with molecular formula C13H16BrN2O9P and molecular weight 453.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2R,3S,5R)-5-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid
Also Known As: 1-(2,4-Dimethoxy-phenyl)-butan-1-ol, ((5-(5-(2-Bromovinyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid, ((5-(5-(2-Bromo-vinyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)acetic acid, ({5-[5-(2-Bromo-vinyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-3-hydroxy-tetrahydro-furan-2-ylmethoxy}-hydroxy-phosphoryl)-acetic acid, 2-[[(2R,3S,5R)-5-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid
| Molecular Formula | C13H16BrN2O9P |
|---|---|
| Molecular Weight | 453.98 g/mol |
| LogP | -0.1628 |
| Topological Polar Surface Area | 168.15 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.9777 |
| Heavy Atoms | 26 |
| Complexity | 863.90607 |
Chemical Identifiers
| CAS Number | 117707-12-7 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/Br)COP(=O)(CC(=O)O)O)O |
Product Overview
1-(2,4-Dimethoxy-phenyl)-butan-1-ol (CAS 117707-12-7), with molecular formula C13H16BrN2O9P and molecular weight 453.98 g/mol. IUPAC: 2-[[(2R,3S,5R)-5-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid.
Chemical Property Profile of 1-(2,4-Dimethoxy-phenyl)-butan-1-ol
Property Insights of 1-(2,4-Dimethoxy-phenyl)-butan-1-ol
The XLogP value of -0.1628 indicates that 1-(2,4-Dimethoxy-phenyl)-butan-1-ol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 168.15 Ų indicates high polarity, suggesting 1-(2,4-Dimethoxy-phenyl)-butan-1-ol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(2,4-Dimethoxy-phenyl)-butan-1-ol has 4 hydrogen bond donor(s) and 7 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 1-(2,4-Dimethoxy-phenyl)-butan-1-ol?
The CAS number of 1-(2,4-Dimethoxy-phenyl)-butan-1-ol is 117707-12-7.
What is the molecular formula of 1-(2,4-Dimethoxy-phenyl)-butan-1-ol?
The molecular formula of 1-(2,4-Dimethoxy-phenyl)-butan-1-ol is C13H16BrN2O9P.
What is the molecular weight of 1-(2,4-Dimethoxy-phenyl)-butan-1-ol?
The molecular weight of 1-(2,4-Dimethoxy-phenyl)-butan-1-ol is 453.98 g/mol.
Where can I buy 1-(2,4-Dimethoxy-phenyl)-butan-1-ol?
You can request a quote for 1-(2,4-Dimethoxy-phenyl)-butan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-Dimethoxy-phenyl)-butan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-Dimethoxy-phenyl)-butan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.