RefChem:334112
TL;DR: RefChem:334112 (CAS 100857-71-4) is a chemical compound with molecular formula C19H25Cl2NO5 and molecular weight 417.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-methoxy-4-oxo-8-(piperidin-1-ylmethyl)chromene-2-carboxylate;dihydrochloride
Also Known As: Chromone-2-carboxylic acid, 7-methoxy-8-(piperidinomethyl)-, ethyl ester, dihydrochloride, 7-Methoxy-8-(piperidinomethyl)chromone-2-carboxylic acid ethyl ester dihydrochloride, ethyl 7-methoxy-4-oxo-8-(piperidin-1-ylmethyl)chromene-2-carboxylate dihydrochloride, Ethyl 7-methoxy-4-oxo-8-[(piperidin-1-yl)methyl]-4H-1-benzopyran-2-carboxylate--hydrogen chloride (1/2), RefChem:334112
| Molecular Formula | C19H25Cl2NO5 |
|---|---|
| Molecular Weight | 417.11 g/mol |
| LogP | 3.8078 |
| Topological Polar Surface Area | 68.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.111 |
| Heavy Atoms | 27 |
| Complexity | 830.6952 |
Chemical Identifiers
| CAS Number | 100857-71-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)C2=C(O1)C(=C(C=C2)OC)CN3CCCCC3.Cl.Cl |
Product Overview
RefChem:334112 (CAS 100857-71-4), with molecular formula C19H25Cl2NO5 and molecular weight 417.11 g/mol. IUPAC: ethyl 7-methoxy-4-oxo-8-(piperidin-1-ylmethyl)chromene-2-carboxylate;dihydrochloride.
Chemical Property Profile of RefChem:334112
Property Insights of RefChem:334112
The XLogP value of 3.8078 indicates that RefChem:334112 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.98 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:334112. Following Lipinski's Rule of Five, RefChem:334112 has 0 hydrogen bond donor(s) and 6 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:334112?
The CAS number of RefChem:334112 is 100857-71-4.
What is the molecular formula of RefChem:334112?
The molecular formula of RefChem:334112 is C19H25Cl2NO5.
What is the molecular weight of RefChem:334112?
The molecular weight of RefChem:334112 is 417.11 g/mol.
Where can I buy RefChem:334112?
You can request a quote for RefChem:334112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:334112?
Yes, KEHONG BIO provides custom synthesis services for RefChem:334112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.