RefChem:1054753
TL;DR: RefChem:1054753 (CAS 40712-74-1) is a chemical compound with molecular formula C18H29ClN2O3 and molecular weight 356.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-piperidin-1-ium-1-ylpropan-2-yl N-(3-propoxyphenyl)carbamate chloride
Also Known As: m-Propoxycarbanilic acid 1-methyl-2-piperidinoethyl ester monohydrochloride, (3-Propoxyphenyl)carbamic acid 1-methyl-2-(1-piperidinyl)ethyl ester hydrochloride, Carbamic acid, (3-propoxyphenyl)-, 1-methyl-2-(1-piperidinyl)ethyl ester, monohydrochloride, 1-piperidin-1-ium-1-ylpropan-2-yl N-(3-propoxyphenyl)carbamate chloride, 1-(Piperidin-1-yl)propan-2-yl hydrogen (3-propoxyphenyl)carbonimidate--hydrogen chloride (1/1)
| Molecular Formula | C18H29ClN2O3 |
|---|---|
| Molecular Weight | 356.19 g/mol |
| LogP | -0.51 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 356.18668 |
| Heavy Atoms | 24 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 40712-74-1 |
|---|---|
| SMILES | CCCOC1=CC=CC(=C1)NC(=O)OC(C)C[NH+]2CCCCC2.[Cl-] |
| InChIKey | CMKBOCLKRYUFSI-UHFFFAOYSA-N |
Product Overview
RefChem:1054753 (CAS 40712-74-1), with molecular formula C18H29ClN2O3 and molecular weight 356.19 g/mol. IUPAC: 1-piperidin-1-ium-1-ylpropan-2-yl N-(3-propoxyphenyl)carbamate chloride.
Chemical Property Profile of RefChem:1054753
Property Insights of RefChem:1054753
The XLogP value of -0.51 indicates that RefChem:1054753 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:1054753 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054753 has 2 hydrogen bond donor(s) and 4 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:1054753?
The CAS number of RefChem:1054753 is 40712-74-1.
What is the molecular formula of RefChem:1054753?
The molecular formula of RefChem:1054753 is C18H29ClN2O3.
What is the molecular weight of RefChem:1054753?
The molecular weight of RefChem:1054753 is 356.19 g/mol.
Where can I buy RefChem:1054753?
You can request a quote for RefChem:1054753 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054753?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054753 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.