RefChem:1081048
TL;DR: RefChem:1081048 (CAS 101520-28-9) is a chemical compound with molecular formula C24H32ClN3O4 and molecular weight 461.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(phenylcarbamoyloxy)-3-piperidin-1-ium-1-ylpropyl] N-(2,6-dimethylphenyl)carbamate chloride
Also Known As: 2,6-Dimethylcarbanilic acid 2-hydroxy-3-piperidinopropyl ester carbanilate hydrochloride, Carbanilic acid, 2,6-dimethyl-, 2-hydroxy-3-piperidinopropyl ester, carbanilate, hydrochloride, 1-(2,6-dimethyl-phenylcarbamoyloxy)-2-phenylcarbamoyloxy-3-piperidino-propane,hydrochloride, [2-(phenylcarbamoyloxy)-3-piperidin-1-ium-1-ylpropyl] N-(2,6-dimethylphenyl)carbamate chloride, [2-(phenylcarbamoyloxy)-3-piperidin-1-ium-1-ylpropyl] N-(2,6-dimethylphenyl)carbamate,chloride
| Molecular Formula | C24H32ClN3O4 |
|---|---|
| Molecular Weight | 461.21 g/mol |
| LogP | 0.54 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 461.20813 |
| Heavy Atoms | 32 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 101520-28-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)OCC(C[NH+]2CCCCC2)OC(=O)NC3=CC=CC=C3.[Cl-] |
| InChIKey | ZLZVGUTYRXFXBQ-UHFFFAOYSA-N |
Product Overview
RefChem:1081048 (CAS 101520-28-9), with molecular formula C24H32ClN3O4 and molecular weight 461.21 g/mol. IUPAC: [2-(phenylcarbamoyloxy)-3-piperidin-1-ium-1-ylpropyl] N-(2,6-dimethylphenyl)carbamate chloride.
Chemical Property Profile of RefChem:1081048
Property Insights of RefChem:1081048
The XLogP value of 0.54 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1081048. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1081048. Following Lipinski's Rule of Five, RefChem:1081048 has 3 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:1081048?
The CAS number of RefChem:1081048 is 101520-28-9.
What is the molecular formula of RefChem:1081048?
The molecular formula of RefChem:1081048 is C24H32ClN3O4.
What is the molecular weight of RefChem:1081048?
The molecular weight of RefChem:1081048 is 461.21 g/mol.
Where can I buy RefChem:1081048?
You can request a quote for RefChem:1081048 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1081048?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1081048 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.