HCl of LM 985
TL;DR: HCl of LM 985 (CAS 87626-57-1) is a chemical compound with molecular formula C23H26ClNO4 and molecular weight 415.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[2-(4-oxo-2-phenylchromen-8-yl)acetyl]oxyethyl]azanium chloride
Also Known As: HCl of LM 985, 4H-1-Benzopyran-8-acetic acid, 4-oxo-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride, Mitoflaxone 2-(diethylamino)ethyl ester hydrochloride, 2-(N,N-Diethylamino)ethyl 4-oxo-2-phenyl-4H-1-benzopyran-8-acetate hydrochloride, 4-Oxo-2-phenyl-4H-1-benzopyran-8-acetic acid 2-(diethylamino)ethyl ester hydrochloride
| Molecular Formula | C23H26ClNO4 |
|---|---|
| Molecular Weight | 415.16 g/mol |
| LogP | -0.53 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 415.15503 |
| Heavy Atoms | 29 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 87626-57-1 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)CC1=C2C(=CC=C1)C(=O)C=C(O2)C3=CC=CC=C3.[Cl-] |
| InChIKey | WDVNOYDPVLEXLL-UHFFFAOYSA-N |
Product Overview
HCl of LM 985 (CAS 87626-57-1), with molecular formula C23H26ClNO4 and molecular weight 415.16 g/mol. IUPAC: diethyl-[2-[2-(4-oxo-2-phenylchromen-8-yl)acetyl]oxyethyl]azanium chloride.
Chemical Property Profile of HCl of LM 985
Property Insights of HCl of LM 985
The XLogP value of -0.53 indicates that HCl of LM 985 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.0 Ų, HCl of LM 985 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, HCl of LM 985 has 1 hydrogen bond donor(s) and 5 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 HCl of LM 985?
The CAS number of HCl of LM 985 is 87626-57-1.
What is the molecular formula of HCl of LM 985?
The molecular formula of HCl of LM 985 is C23H26ClNO4.
What is the molecular weight of HCl of LM 985?
The molecular weight of HCl of LM 985 is 415.16 g/mol.
Where can I buy HCl of LM 985?
You can request a quote for HCl of LM 985 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for HCl of LM 985?
Yes, KEHONG BIO provides custom synthesis services for HCl of LM 985 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.