J3.616.741F
TL;DR: J3.616.741F (CAS 896804-54-9) is a chemical compound with molecular formula C18H24N2O4 and molecular weight 332.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-12,12-dimethyl-8-propan-2-yl-5,11-dioxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraene-4-carboxylate
Also Known As: J3.616.741F, 1-Amino-5-isopropyl-8,8-dimethyl-8,9-dihydro-3,7-dioxa-4-aza-6H-cyclopenta[a]naphthalene-2-carboxylic acid ethyl ester, ethyl 1-amino-5-isopropyl-8,8-dimethyl-8,9-dihydro-6H-furo[2,3-b]pyrano[4,3-d]pyridine-2-carboxylate, ethyl 1-amino-5-isopropyl-8,8-dimethyl-8,9-dihydro-6h-pyrano[4,3-d]furo[2,3-b]pyridine-2-carboxylate, ethyl 1-amino-8,8-dimethyl-5-(propan-2-yl)-8,9-dihydro-6H-furo[2,3-b]pyrano[4,3-d]pyridine-2-carboxylate
| Molecular Formula | C18H24N2O4 |
|---|---|
| Molecular Weight | 332.17 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 87.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.1736 |
| Heavy Atoms | 24 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 896804-54-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(O1)N=C(C3=C2CC(OC3)(C)C)C(C)C)N |
| InChIKey | ZBFQWDHRWPXTRT-UHFFFAOYSA-N |
Product Overview
J3.616.741F (CAS 896804-54-9), with molecular formula C18H24N2O4 and molecular weight 332.17 g/mol. IUPAC: ethyl 3-amino-12,12-dimethyl-8-propan-2-yl-5,11-dioxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraene-4-carboxylate.
Chemical Property Profile of J3.616.741F
Property Insights of J3.616.741F
The XLogP value of 3.5 indicates that J3.616.741F is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.6 Ų falls within the moderate polarity range, balancing permeability and solubility for J3.616.741F. Following Lipinski's Rule of Five, J3.616.741F 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 J3.616.741F?
The CAS number of J3.616.741F is 896804-54-9.
What is the molecular formula of J3.616.741F?
The molecular formula of J3.616.741F is C18H24N2O4.
What is the molecular weight of J3.616.741F?
The molecular weight of J3.616.741F is 332.17 g/mol.
Where can I buy J3.616.741F?
You can request a quote for J3.616.741F directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.616.741F?
Yes, KEHONG BIO provides custom synthesis services for J3.616.741F and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.