RefChem:1080820
TL;DR: RefChem:1080820 (CAS 42437-99-0) is a chemical compound with molecular formula C18H31ClN2O3 and molecular weight 358.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-butoxyphenyl)carbamoyloxy]propyl-diethylazanium chloride
Also Known As: 2-[(3-butoxyphenyl)carbamoyloxy]propyl-diethylazanium chloride, (3-Butoxyphenyl)carbamic acid 2-(diethylamino)-1-methylethyl ester hydrochloride, Carbamic acid, (3-butoxyphenyl)-, 2-(diethylamino)-1-methylethyl ester, monohydrochloride, Carbanilic acid, m-butoxy-, 2-(diethylamino)-1-methylethyl ester, hydrochloride, CARBAMIC ACID, (3-BUTOXYPHENYL)-, 2-(DIETHYLAMINO)-1-METHYLETHYL ESTER, MONOHYDR
| Molecular Formula | C18H31ClN2O3 |
|---|---|
| Molecular Weight | 358.20 g/mol |
| LogP | -0.27 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 358.20233 |
| Heavy Atoms | 24 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 42437-99-0 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)NC(=O)OC(C)C[NH+](CC)CC.[Cl-] |
| InChIKey | VUBZRSIVNVPRQD-UHFFFAOYSA-N |
Product Overview
RefChem:1080820 (CAS 42437-99-0), with molecular formula C18H31ClN2O3 and molecular weight 358.20 g/mol. IUPAC: 2-[(3-butoxyphenyl)carbamoyloxy]propyl-diethylazanium chloride.
Chemical Property Profile of RefChem:1080820
Property Insights of RefChem:1080820
The XLogP value of -0.27 indicates that RefChem:1080820 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:1080820 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1080820 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:1080820?
The CAS number of RefChem:1080820 is 42437-99-0.
What is the molecular formula of RefChem:1080820?
The molecular formula of RefChem:1080820 is C18H31ClN2O3.
What is the molecular weight of RefChem:1080820?
The molecular weight of RefChem:1080820 is 358.20 g/mol.
Where can I buy RefChem:1080820?
You can request a quote for RefChem:1080820 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1080820?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1080820 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.