1-Propanol, 1,1-di-2-thienyl-2-methyl-3-(methylphenethylamino)-, oxalate (1:1)
TL;DR: 1-Propanol, 1,1-di-2-thienyl-2-methyl-3-(methylphenethylamino)-, oxalate (1:1) (CAS 4795-12-4) is a chemical compound with molecular formula C23H27NO5S2 and molecular weight 461.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-[methyl(2-phenylethyl)amino]-1,1-dithiophen-2-ylpropan-1-ol;oxalic acid
Also Known As: 2-Methyl-3-(methylphenethylamino)-1,1-di-2-thienyl-1-propanol oxalate, 1,1-Di-2-thienyl-2-methyl-3-(methylphenethylamino)-1-propanol oxalate, 1-Propanol, 1,1-di-2-thienyl-2-methyl-3-(methylphenethylamino)-, oxalate (1:1), 2-methyl-3-[methyl(phenethyl)amino]-1,1-dithiophen-2-ylpropan-1-ol; oxalic acid, Oxalic acid--2-methyl-3-[methyl(2-phenylethyl)amino]-1,1-di(thiophen-2-yl)propan-1-ol (1/1)
| Molecular Formula | C23H27NO5S2 |
|---|---|
| Molecular Weight | 461.13 g/mol |
| LogP | 4.0117 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 461.13306 |
| Heavy Atoms | 31 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 4795-12-4 |
|---|---|
| SMILES | CC(CN(C)CCC1=CC=CC=C1)C(C2=CC=CS2)(C3=CC=CS3)O.C(=O)(C(=O)O)O |
| InChIKey | KZYHHRLSYCKZOK-UHFFFAOYSA-N |
Product Overview
1-Propanol, 1,1-di-2-thienyl-2-methyl-3-(methylphenethylamino)-, oxalate (1:1) (CAS 4795-12-4), with molecular formula C23H27NO5S2 and molecular weight 461.13 g/mol. IUPAC: 2-methyl-3-[methyl(2-phenylethyl)amino]-1,1-dithiophen-2-ylpropan-1-ol;oxalic acid.
Chemical Property Profile of 1-Propanol, 1,1-di-2-thienyl-2-methyl-3-(methylphenethylamino)-, oxalate (1:1)
Property Insights of 1-Propanol, 1,1-di-2-thienyl-2-methyl-3-(methylphenethylamino)-, oxalate (1:1)
The XLogP value of 4.0117 indicates that 1-Propanol, 1,1-di-2-thienyl-2-methyl-3-(methylphenethylamino)-, oxalate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting 1-Propanol, 1,1-di-2-thienyl-2-methyl-3-(methylphenethylamino)-, oxalate (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Propanol, 1,1-di-2-thienyl-2-methyl-3-(methylphenethylamino)-, oxalate (1:1) has 3 hydrogen bond donor(s) and 8 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-Propanol, 1,1-di-2-thienyl-2-methyl-3-(methylphenethylamino)-, oxalate (1:1)?
The CAS number of 1-Propanol, 1,1-di-2-thienyl-2-methyl-3-(methylphenethylamino)-, oxalate (1:1) is 4795-12-4.
What is the molecular formula of 1-Propanol, 1,1-di-2-thienyl-2-methyl-3-(methylphenethylamino)-, oxalate (1:1)?
The molecular formula of 1-Propanol, 1,1-di-2-thienyl-2-methyl-3-(methylphenethylamino)-, oxalate (1:1) is C23H27NO5S2.
What is the molecular weight of 1-Propanol, 1,1-di-2-thienyl-2-methyl-3-(methylphenethylamino)-, oxalate (1:1)?
The molecular weight of 1-Propanol, 1,1-di-2-thienyl-2-methyl-3-(methylphenethylamino)-, oxalate (1:1) is 461.13 g/mol.
Where can I buy 1-Propanol, 1,1-di-2-thienyl-2-methyl-3-(methylphenethylamino)-, oxalate (1:1)?
You can request a quote for 1-Propanol, 1,1-di-2-thienyl-2-methyl-3-(methylphenethylamino)-, oxalate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanol, 1,1-di-2-thienyl-2-methyl-3-(methylphenethylamino)-, oxalate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanol, 1,1-di-2-thienyl-2-methyl-3-(methylphenethylamino)-, oxalate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.