4-[5-(ethoxycarbonyl)-6-methyl-2H-furo[3',2':3,4]naphtho[2,1-e][1,3]oxazin-3(4H)-yl]butanoic acid
TL;DR: 4-[5-(ethoxycarbonyl)-6-methyl-2H-furo[3',2':3,4]naphtho[2,1-e][1,3]oxazin-3(4H)-yl]butanoic acid (CAS 438486-03-4) is a chemical compound with molecular formula C22H23NO6 and molecular weight 397.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-ethoxycarbonyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaen-9-yl)butanoic acid
Also Known As: 4-[5-(ethoxycarbonyl)-6-methyl-2H-furo[3',2':3,4]naphtho[2,1-e][1,3]oxazin-3(4H)-yl]butanoic acid, 4-(5-ethoxycarbonyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaen-9-yl)butanoic acid, 4-[3-(ethoxycarbonyl)-2-methyl-4H,6H-1,3-oxazino[5',6'-4,3]naphtho[1,2-b]furan -5-yl]butanoic acid
| Molecular Formula | C22H23NO6 |
|---|---|
| Molecular Weight | 397.15 g/mol |
| LogP | 4.08782 |
| Topological Polar Surface Area | 89.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.15253 |
| Heavy Atoms | 29 |
| Complexity | 1099.8099 |
Chemical Identifiers
| CAS Number | 438486-03-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C3=C(C4=CC=CC=C42)OCN(C3)CCCC(=O)O)C |
Product Overview
4-[5-(ethoxycarbonyl)-6-methyl-2H-furo[3',2':3,4]naphtho[2,1-e][1,3]oxazin-3(4H)-yl]butanoic acid (CAS 438486-03-4), with molecular formula C22H23NO6 and molecular weight 397.15 g/mol. IUPAC: 4-(5-ethoxycarbonyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaen-9-yl)butanoic acid.
Chemical Property Profile of 4-[5-(ethoxycarbonyl)-6-methyl-2H-furo[3',2':3,4]naphtho[2,1-e][1,3]oxazin-3(4H)-yl]butanoic acid
Property Insights of 4-[5-(ethoxycarbonyl)-6-methyl-2H-furo[3',2':3,4]naphtho[2,1-e][1,3]oxazin-3(4H)-yl]butanoic acid
The XLogP value of 4.08782 indicates that 4-[5-(ethoxycarbonyl)-6-methyl-2H-furo[3',2':3,4]naphtho[2,1-e][1,3]oxazin-3(4H)-yl]butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[5-(ethoxycarbonyl)-6-methyl-2H-furo[3',2':3,4]naphtho[2,1-e][1,3]oxazin-3(4H)-yl]butanoic acid. Following Lipinski's Rule of Five, 4-[5-(ethoxycarbonyl)-6-methyl-2H-furo[3',2':3,4]naphtho[2,1-e][1,3]oxazin-3(4H)-yl]butanoic acid 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 4-[5-(ethoxycarbonyl)-6-methyl-2H-furo[3',2':3,4]naphtho[2,1-e][1,3]oxazin-3(4H)-yl]butanoic acid?
The CAS number of 4-[5-(ethoxycarbonyl)-6-methyl-2H-furo[3',2':3,4]naphtho[2,1-e][1,3]oxazin-3(4H)-yl]butanoic acid is 438486-03-4.
What is the molecular formula of 4-[5-(ethoxycarbonyl)-6-methyl-2H-furo[3',2':3,4]naphtho[2,1-e][1,3]oxazin-3(4H)-yl]butanoic acid?
The molecular formula of 4-[5-(ethoxycarbonyl)-6-methyl-2H-furo[3',2':3,4]naphtho[2,1-e][1,3]oxazin-3(4H)-yl]butanoic acid is C22H23NO6.
What is the molecular weight of 4-[5-(ethoxycarbonyl)-6-methyl-2H-furo[3',2':3,4]naphtho[2,1-e][1,3]oxazin-3(4H)-yl]butanoic acid?
The molecular weight of 4-[5-(ethoxycarbonyl)-6-methyl-2H-furo[3',2':3,4]naphtho[2,1-e][1,3]oxazin-3(4H)-yl]butanoic acid is 397.15 g/mol.
Where can I buy 4-[5-(ethoxycarbonyl)-6-methyl-2H-furo[3',2':3,4]naphtho[2,1-e][1,3]oxazin-3(4H)-yl]butanoic acid?
You can request a quote for 4-[5-(ethoxycarbonyl)-6-methyl-2H-furo[3',2':3,4]naphtho[2,1-e][1,3]oxazin-3(4H)-yl]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[5-(ethoxycarbonyl)-6-methyl-2H-furo[3',2':3,4]naphtho[2,1-e][1,3]oxazin-3(4H)-yl]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[5-(ethoxycarbonyl)-6-methyl-2H-furo[3',2':3,4]naphtho[2,1-e][1,3]oxazin-3(4H)-yl]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.