Etomidoline mixture with nefopam hydrochloride
TL;DR: Etomidoline mixture with nefopam hydrochloride (CAS 80286-26-6) is a chemical compound with molecular formula C40H49ClN4O3 and molecular weight 668.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-3-[4-(2-piperidin-1-ylethoxy)anilino]-3H-isoindol-1-one;5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine;hydrochloride
Also Known As: Acupan mixed with amidoline (5:1), Etomidoline combined with ajan (1:5), Ajan compd. with etomidoline (5:1), Amidoline compd. with acupan (1:5), Etomidoline / nefopam hydrochloride
| Molecular Formula | C40H49ClN4O3 |
|---|---|
| Molecular Weight | 668.35 g/mol |
| LogP | 7.7975 |
| Topological Polar Surface Area | 57.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 668.3493 |
| Heavy Atoms | 48 |
| Complexity | 1579.188 |
Chemical Identifiers
| CAS Number | 80286-26-6 |
|---|---|
| SMILES | CCN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)OCCN4CCCCC4.CN1CCOC(C2=CC=CC=C2C1)C3=CC=CC=C3.Cl |
Product Overview
Etomidoline mixture with nefopam hydrochloride (CAS 80286-26-6), with molecular formula C40H49ClN4O3 and molecular weight 668.35 g/mol. IUPAC: 2-ethyl-3-[4-(2-piperidin-1-ylethoxy)anilino]-3H-isoindol-1-one;5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine;hydrochloride.
Chemical Property Profile of Etomidoline mixture with nefopam hydrochloride
Property Insights of Etomidoline mixture with nefopam hydrochloride
The XLogP value of 7.7975 indicates that Etomidoline mixture with nefopam hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.28 Ų, Etomidoline mixture with nefopam hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Etomidoline mixture with nefopam hydrochloride has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Etomidoline mixture with nefopam hydrochloride?
The CAS number of Etomidoline mixture with nefopam hydrochloride is 80286-26-6.
What is the molecular formula of Etomidoline mixture with nefopam hydrochloride?
The molecular formula of Etomidoline mixture with nefopam hydrochloride is C40H49ClN4O3.
What is the molecular weight of Etomidoline mixture with nefopam hydrochloride?
The molecular weight of Etomidoline mixture with nefopam hydrochloride is 668.35 g/mol.
Where can I buy Etomidoline mixture with nefopam hydrochloride?
You can request a quote for Etomidoline mixture with nefopam hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etomidoline mixture with nefopam hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Etomidoline mixture with nefopam hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.