3-(benzyloxy)propyl Methanesulfonate
TL;DR: 3-(benzyloxy)propyl Methanesulfonate (CAS 98519-01-8) is a chemical compound with molecular formula C16H15Cl2N3O3 and molecular weight 367.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-(5,7-dichloro-1-benzofuran-2-yl)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Also Known As: 3-(benzyloxy)propyl Methanesulfonate, 1H-1,2,4-Triazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-4,5-dimethyl-1,3-dioxolan-2-yl)methyl)-, 2-(5,7-Dichlor-benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-4,5-dimethyl-1,3-dioxolan, 1-((2-(5,7-Dichlorobenzofuran-2-yl)-4,5-dimethyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole, 1-[[2-(5,7-dichloro-1-benzofuran-2-yl)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
| Molecular Formula | C16H15Cl2N3O3 |
|---|---|
| Molecular Weight | 367.05 g/mol |
| LogP | 4.0079 |
| Topological Polar Surface Area | 62.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.04904 |
| Heavy Atoms | 24 |
| Complexity | 868.2102 |
Chemical Identifiers
| CAS Number | 98519-01-8 |
|---|---|
| SMILES | CC1C(OC(O1)(CN2C=NC=N2)C3=CC4=CC(=CC(=C4O3)Cl)Cl)C |
Product Overview
3-(benzyloxy)propyl Methanesulfonate (CAS 98519-01-8), with molecular formula C16H15Cl2N3O3 and molecular weight 367.05 g/mol. IUPAC: 1-[[2-(5,7-dichloro-1-benzofuran-2-yl)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole.
Chemical Property Profile of 3-(benzyloxy)propyl Methanesulfonate
Property Insights of 3-(benzyloxy)propyl Methanesulfonate
The XLogP value of 4.0079 indicates that 3-(benzyloxy)propyl Methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(benzyloxy)propyl Methanesulfonate. Following Lipinski's Rule of Five, 3-(benzyloxy)propyl Methanesulfonate has 0 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 3-(benzyloxy)propyl Methanesulfonate?
The CAS number of 3-(benzyloxy)propyl Methanesulfonate is 98519-01-8.
What is the molecular formula of 3-(benzyloxy)propyl Methanesulfonate?
The molecular formula of 3-(benzyloxy)propyl Methanesulfonate is C16H15Cl2N3O3.
What is the molecular weight of 3-(benzyloxy)propyl Methanesulfonate?
The molecular weight of 3-(benzyloxy)propyl Methanesulfonate is 367.05 g/mol.
Where can I buy 3-(benzyloxy)propyl Methanesulfonate?
You can request a quote for 3-(benzyloxy)propyl Methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(benzyloxy)propyl Methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzyloxy)propyl Methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.