ChemDiv1_019962
TL;DR: ChemDiv1_019962 (CAS 353464-44-5) is a chemical compound with molecular formula C16H19NO5 and molecular weight 305.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methoxy-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-12-carboxylate
Also Known As: ChemDiv1_019962, ethyl 4-methoxy-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-12-carboxylate, ethyl 4-methoxy-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-12-carboxylate, ethyl 8-methoxy-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylate, ethyl 8-methoxy-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxylate
| Molecular Formula | C16H19NO5 |
|---|---|
| Molecular Weight | 305.13 g/mol |
| LogP | 1.5866 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.1263 |
| Heavy Atoms | 22 |
| Complexity | 628.9622 |
Chemical Identifiers
| CAS Number | 353464-44-5 |
|---|---|
| SMILES | CCOC(=O)C1C2CC(NC1=O)(OC3=C2C=C(C=C3)OC)C |
Product Overview
ChemDiv1_019962 (CAS 353464-44-5), with molecular formula C16H19NO5 and molecular weight 305.13 g/mol. IUPAC: ethyl 4-methoxy-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-12-carboxylate.
Chemical Property Profile of ChemDiv1_019962
Property Insights of ChemDiv1_019962
The XLogP value of 1.5866 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_019962. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_019962. Following Lipinski's Rule of Five, ChemDiv1_019962 has 1 hydrogen bond donor(s) and 5 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_019962?
The CAS number of ChemDiv1_019962 is 353464-44-5.
What is the molecular formula of ChemDiv1_019962?
The molecular formula of ChemDiv1_019962 is C16H19NO5.
What is the molecular weight of ChemDiv1_019962?
The molecular weight of ChemDiv1_019962 is 305.13 g/mol.
Where can I buy ChemDiv1_019962?
You can request a quote for ChemDiv1_019962 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_019962?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_019962 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.