RefChem:1081209
TL;DR: RefChem:1081209 (CAS 101911-98-2) is a chemical compound with molecular formula C17H22ClNO3S and molecular weight 355.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-(2-methyl-3-phenoxycarbonyloxy-3-thiophen-2-ylpropyl)azanium chloride
Also Known As: Carbonic acid, (alpha-(1-((dimethylamino)methyl)ethyl)-2-thenyl) phenyl ester, hydrochloride, (alpha-(1-((Dimethylamino)methyl)ethyl)-2-thenyl) phenyl carbonate hydrochloride, dimethyl-(2-methyl-3-phenoxycarbonyloxy-3-thiophen-2-ylpropyl)azanium chloride, n,n,2-trimethyl-3-[(phenoxycarbonyl)oxy]-3-(thiophen-2-yl)propan-1-aminium chloride, RefChem:1081209
| Molecular Formula | C17H22ClNO3S |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | -0.21 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 355.1009 |
| Heavy Atoms | 23 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 101911-98-2 |
|---|---|
| SMILES | CC(C[NH+](C)C)C(C1=CC=CS1)OC(=O)OC2=CC=CC=C2.[Cl-] |
| InChIKey | PNIGHPZJHZZSMD-UHFFFAOYSA-N |
Product Overview
RefChem:1081209 (CAS 101911-98-2), with molecular formula C17H22ClNO3S and molecular weight 355.10 g/mol. IUPAC: dimethyl-(2-methyl-3-phenoxycarbonyloxy-3-thiophen-2-ylpropyl)azanium chloride.
Chemical Property Profile of RefChem:1081209
Property Insights of RefChem:1081209
The XLogP value of -0.21 indicates that RefChem:1081209 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1081209. Following Lipinski's Rule of Five, RefChem:1081209 has 1 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 RefChem:1081209?
The CAS number of RefChem:1081209 is 101911-98-2.
What is the molecular formula of RefChem:1081209?
The molecular formula of RefChem:1081209 is C17H22ClNO3S.
What is the molecular weight of RefChem:1081209?
The molecular weight of RefChem:1081209 is 355.10 g/mol.
Where can I buy RefChem:1081209?
You can request a quote for RefChem:1081209 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1081209?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1081209 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.