ChemDiv1_028764
TL;DR: ChemDiv1_028764 (CAS 439138-44-0) is a chemical compound with molecular formula C16H20N2O4 and molecular weight 304.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-8,12,12-trimethyl-5,11-dioxa-7-azatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-4-carboxylate
Also Known As: ChemDiv1_028764, AB00393005-09, ethyl 1-amino-5,8,8-trimethyl-8,9-dihydro-6H-furo[2,3-b]pyrano[4,3-d]pyridine-2-carboxylate, ethyl 1-amino-5,8,8-trimethyl-8,9-dihydro-6h-pyrano[4,3-d]furo[2,3-b]pyridine-2-carboxylate
| Molecular Formula | C16H20N2O4 |
|---|---|
| Molecular Weight | 304.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 87.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.1423 |
| Heavy Atoms | 22 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 439138-44-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C3CC(OCC3=C(N=C2O1)C)(C)C)N |
| InChIKey | HQQRTFJCPILGRZ-UHFFFAOYSA-N |
Product Overview
ChemDiv1_028764 (CAS 439138-44-0), with molecular formula C16H20N2O4 and molecular weight 304.14 g/mol. IUPAC: ethyl 3-amino-8,12,12-trimethyl-5,11-dioxa-7-azatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-4-carboxylate.
Chemical Property Profile of ChemDiv1_028764
Property Insights of ChemDiv1_028764
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_028764. The TPSA of 87.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028764. Following Lipinski's Rule of Five, ChemDiv1_028764 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_028764?
The CAS number of ChemDiv1_028764 is 439138-44-0.
What is the molecular formula of ChemDiv1_028764?
The molecular formula of ChemDiv1_028764 is C16H20N2O4.
What is the molecular weight of ChemDiv1_028764?
The molecular weight of ChemDiv1_028764 is 304.14 g/mol.
Where can I buy ChemDiv1_028764?
You can request a quote for ChemDiv1_028764 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028764?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028764 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.