RefChem:1063709
TL;DR: RefChem:1063709 (CAS 101911-99-3) is a chemical compound with molecular formula C21H30ClNO3S and molecular weight 411.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methane;(2-methyl-3-piperidin-1-ium-1-yl-1-thiophen-2-ylpropyl) phenyl carbonate;chloride
Also Known As: Phenyl (alpha-(1-(piperidinomethyl)ethyl)-2-thenyl) carbonate hydrochloride, Carbonic acid, phenyl (alpha-(1-(piperidinomethyl)ethyl)-2-thenyl) ester, hydrochloride, Carbonicacid,phenyl(alpha-(1-(piperidinomethyl)ethyl)-2-thenyl)ester,hydrochloride, Methane;(2-methyl-3-piperidin-1-ium-1-yl-1-thiophen-2-ylpropyl)phenylcarbonate; chloride, 1-{2-methyl-3-[(phenoxycarbonyl)oxy]-3-(thiophen-2-yl)propyl}piperidinium chloride- methane(1:1:1)
| Molecular Formula | C21H30ClNO3S |
|---|---|
| Molecular Weight | 411.16 g/mol |
| LogP | 1.35 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.16348 |
| Heavy Atoms | 27 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 101911-99-3 |
|---|---|
| SMILES | C.CC(C[NH+]1CCCCC1)C(C2=CC=CS2)OC(=O)OC3=CC=CC=C3.[Cl-] |
| InChIKey | MWDGTXZSUKOHGH-UHFFFAOYSA-N |
Product Overview
RefChem:1063709 (CAS 101911-99-3), with molecular formula C21H30ClNO3S and molecular weight 411.16 g/mol. IUPAC: methane;(2-methyl-3-piperidin-1-ium-1-yl-1-thiophen-2-ylpropyl) phenyl carbonate;chloride.
Chemical Property Profile of RefChem:1063709
Property Insights of RefChem:1063709
The XLogP value of 1.35 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1063709. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1063709. Following Lipinski's Rule of Five, RefChem:1063709 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:1063709?
The CAS number of RefChem:1063709 is 101911-99-3.
What is the molecular formula of RefChem:1063709?
The molecular formula of RefChem:1063709 is C21H30ClNO3S.
What is the molecular weight of RefChem:1063709?
The molecular weight of RefChem:1063709 is 411.16 g/mol.
Where can I buy RefChem:1063709?
You can request a quote for RefChem:1063709 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1063709?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1063709 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.