ChemDiv3_015033
TL;DR: ChemDiv3_015033 (CAS 690641-24-8) 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-methoxyanilino)-pyridin-2-ylmethyl]pyran-4-one
Also Known As: ChemDiv3_015033, AB00686347-01, F1654-0445, 3-hydroxy-6-(hydroxymethyl)-2-{[(4-methoxyphenyl)amino](pyridin-2-yl)methyl}-4H-pyran-4-one, 3-hydroxy-6-(hydroxymethyl)-2-[(4-methoxyanilino)-pyridin-2-ylmethyl]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 | 690641-24-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(C2=CC=CC=N2)C3=C(C(=O)C=C(O3)CO)O |
Product Overview
ChemDiv3_015033 (CAS 690641-24-8), with molecular formula C19H18N2O5 and molecular weight 354.12 g/mol. IUPAC: 3-hydroxy-6-(hydroxymethyl)-2-[(4-methoxyanilino)-pyridin-2-ylmethyl]pyran-4-one.
Chemical Property Profile of ChemDiv3_015033
Property Insights of ChemDiv3_015033
The XLogP value of 2.4428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_015033. The TPSA of 104.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_015033. Following Lipinski's Rule of Five, ChemDiv3_015033 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 ChemDiv3_015033?
The CAS number of ChemDiv3_015033 is 690641-24-8.
What is the molecular formula of ChemDiv3_015033?
The molecular formula of ChemDiv3_015033 is C19H18N2O5.
What is the molecular weight of ChemDiv3_015033?
The molecular weight of ChemDiv3_015033 is 354.12 g/mol.
Where can I buy ChemDiv3_015033?
You can request a quote for ChemDiv3_015033 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_015033?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_015033 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.