ChemDiv2_001846
TL;DR: ChemDiv2_001846 (CAS 690641-33-9) is a chemical compound with molecular formula C19H18N2O5 and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-6-(hydroxymethyl)-2-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]pyran-4-one
Also Known As: ChemDiv2_001846, ZERENEX ZX-IP022107, SDCCGSBI-0660159.P001, AP-906/42850375, 3-Hydroxy-6-(hydroxymethyl)-2-[(4-methoxyphenyl)[(pyridin-2-yl)amino]methyl]-4h-pyran-4-one
| Molecular Formula | C19H18N2O5 |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 2.4428 |
| Topological Polar Surface Area | 104.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.12158 |
| Heavy Atoms | 26 |
| Complexity | 922.90955 |
Chemical Identifiers
| CAS Number | 690641-33-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C2=C(C(=O)C=C(O2)CO)O)NC3=CC=CC=N3 |
Product Overview
ChemDiv2_001846 (CAS 690641-33-9), with molecular formula C19H18N2O5 and molecular weight 354.12 g/mol. IUPAC: 3-hydroxy-6-(hydroxymethyl)-2-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]pyran-4-one.
Chemical Property Profile of ChemDiv2_001846
Property Insights of ChemDiv2_001846
The XLogP value of 2.4428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_001846. The TPSA of 104.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_001846. Following Lipinski's Rule of Five, ChemDiv2_001846 has 3 hydrogen bond donor(s) and 7 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 ChemDiv2_001846?
The CAS number of ChemDiv2_001846 is 690641-33-9.
What is the molecular formula of ChemDiv2_001846?
The molecular formula of ChemDiv2_001846 is C19H18N2O5.
What is the molecular weight of ChemDiv2_001846?
The molecular weight of ChemDiv2_001846 is 354.12 g/mol.
Where can I buy ChemDiv2_001846?
You can request a quote for ChemDiv2_001846 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_001846?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_001846 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.