ChemDiv1_003692
TL;DR: ChemDiv1_003692 (CAS 303953-36-8) is a chemical compound with molecular formula C18H20N2O4 and molecular weight 328.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate
Also Known As: ChemDiv1_003692, BAS 07416858, AM-807/12426182, methyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate, methyl 2-amino-7,7-dimethyl-5-oxo-4-(3-pyridinyl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
| Molecular Formula | C18H20N2O4 |
|---|---|
| Molecular Weight | 328.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 91.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.1423 |
| Heavy Atoms | 24 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 303953-36-8 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CN=CC=C3)C(=O)C1)C |
| InChIKey | RJQUOIJAURTDOC-UHFFFAOYSA-N |
Product Overview
ChemDiv1_003692 (CAS 303953-36-8), with molecular formula C18H20N2O4 and molecular weight 328.14 g/mol. IUPAC: methyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate.
Chemical Property Profile of ChemDiv1_003692
Property Insights of ChemDiv1_003692
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_003692. The TPSA of 91.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003692. Following Lipinski's Rule of Five, ChemDiv1_003692 has 1 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 ChemDiv1_003692?
The CAS number of ChemDiv1_003692 is 303953-36-8.
What is the molecular formula of ChemDiv1_003692?
The molecular formula of ChemDiv1_003692 is C18H20N2O4.
What is the molecular weight of ChemDiv1_003692?
The molecular weight of ChemDiv1_003692 is 328.14 g/mol.
Where can I buy ChemDiv1_003692?
You can request a quote for ChemDiv1_003692 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003692?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003692 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.