RefChem:1080830
TL;DR: RefChem:1080830 (CAS 42437-98-9) is a chemical compound with molecular formula C17H29ClN2O3 and molecular weight 344.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[(3-propoxyphenyl)carbamoyloxy]propyl]azanium chloride
Also Known As: (3-Propoxyphenyl)carbamic acid 2-(diethylamino)-1-methylethyl ester hydrochloride, diethyl-[2-[(3-propoxyphenyl)carbamoyloxy]propyl]azanium chloride, Carbamic acid, (3-propoxyphenyl)-, 2-(diethylamino)-1-methylethyl ester, monohydrochloride, Carbanilic acid, m-propoxy-, 2-(diethylamino)-1-methylethyl ester, hydrochloride, RefChem:1080830
| Molecular Formula | C17H29ClN2O3 |
|---|---|
| Molecular Weight | 344.19 g/mol |
| LogP | -0.66 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 344.18668 |
| Heavy Atoms | 23 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 42437-98-9 |
|---|---|
| SMILES | CCCOC1=CC=CC(=C1)NC(=O)OC(C)C[NH+](CC)CC.[Cl-] |
| InChIKey | CZEQVBZSXIVTRC-UHFFFAOYSA-N |
Product Overview
RefChem:1080830 (CAS 42437-98-9), with molecular formula C17H29ClN2O3 and molecular weight 344.19 g/mol. IUPAC: diethyl-[2-[(3-propoxyphenyl)carbamoyloxy]propyl]azanium chloride.
Chemical Property Profile of RefChem:1080830
Property Insights of RefChem:1080830
The XLogP value of -0.66 indicates that RefChem:1080830 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:1080830 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1080830 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:1080830?
The CAS number of RefChem:1080830 is 42437-98-9.
What is the molecular formula of RefChem:1080830?
The molecular formula of RefChem:1080830 is C17H29ClN2O3.
What is the molecular weight of RefChem:1080830?
The molecular weight of RefChem:1080830 is 344.19 g/mol.
Where can I buy RefChem:1080830?
You can request a quote for RefChem:1080830 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1080830?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1080830 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.