RefChem:336248
TL;DR: RefChem:336248 (CAS 42017-88-9) is a chemical compound with molecular formula C26H34ClNO3 and molecular weight 443.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(azepan-1-yl)ethoxy]ethyl 2,2-diphenylcyclopropane-1-carboxylate;hydrochloride
Also Known As: Cyclopropanecarboxylic acid, 2,2-diphenyl-, 2-(2-(hexahydro-1H-azepin-1-yl)ethoxy)ethyl ester, hydrochloride, 2-[2-(azepan-1-yl)ethoxy]ethyl 2,2-diphenylcyclopropane-1-carboxylate Hydrochloride, 2-[2-(azepan-1-yl)ethoxy]ethyl 2,2-diphenylcyclopropane-1-carboxylate,hydrochloride, 2-[2-(Azepan-1-yl)ethoxy]ethyl 2,2-diphenylcyclopropane-1-carboxylate--hydrogen chloride (1/1), RefChem:336248
| Molecular Formula | C26H34ClNO3 |
|---|---|
| Molecular Weight | 443.22 g/mol |
| LogP | 4.8502 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 443.22272 |
| Heavy Atoms | 31 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 42017-88-9 |
|---|---|
| SMILES | C1CCCN(CC1)CCOCCOC(=O)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4.Cl |
| InChIKey | DMWBSGHXTYIMRQ-UHFFFAOYSA-N |
Product Overview
RefChem:336248 (CAS 42017-88-9), with molecular formula C26H34ClNO3 and molecular weight 443.22 g/mol. IUPAC: 2-[2-(azepan-1-yl)ethoxy]ethyl 2,2-diphenylcyclopropane-1-carboxylate;hydrochloride.
Chemical Property Profile of RefChem:336248
Property Insights of RefChem:336248
The XLogP value of 4.8502 indicates that RefChem:336248 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, RefChem:336248 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:336248 has 1 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:336248?
The CAS number of RefChem:336248 is 42017-88-9.
What is the molecular formula of RefChem:336248?
The molecular formula of RefChem:336248 is C26H34ClNO3.
What is the molecular weight of RefChem:336248?
The molecular weight of RefChem:336248 is 443.22 g/mol.
Where can I buy RefChem:336248?
You can request a quote for RefChem:336248 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:336248?
Yes, KEHONG BIO provides custom synthesis services for RefChem:336248 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.