![benzyl 3-methyl-2-(6-oxo-7,8,9,10-tetrahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-3(2H,4H,6H)-yl)butanoate structure](/static/products/843/843624-99-7.png)
benzyl 3-methyl-2-(6-oxo-7,8,9,10-tetrahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-3(2H,4H,6H)-yl)butanoate
TL;DR: benzyl 3-methyl-2-(6-oxo-7,8,9,10-tetrahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-3(2H,4H,6H)-yl)butanoate (CAS 843624-99-7) is a chemical compound with molecular formula C27H29NO5 and molecular weight 447.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-methyl-2-(6-oxo-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-3-yl)butanoate
Also Known As: benzyl 3-methyl-2-(6-oxo-7,8,9,10-tetrahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-3(2H,4H,6H)-yl)butanoate, benzyl 3-methyl-2-(6-oxo-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-3-yl)butanoate
| Molecular Formula | C27H29NO5 |
|---|---|
| Molecular Weight | 447.20 g/mol |
| LogP | 4.5917 |
| Topological Polar Surface Area | 68.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.20456 |
| Heavy Atoms | 33 |
| Complexity | 1230.7306 |
Chemical Identifiers
| CAS Number | 843624-99-7 |
|---|---|
| SMILES | CC(C)C(C(=O)OCC1=CC=CC=C1)N2CC3=C(C=CC4=C3OC(=O)C5=C4CCCC5)OC2 |
Product Overview
benzyl 3-methyl-2-(6-oxo-7,8,9,10-tetrahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-3(2H,4H,6H)-yl)butanoate (CAS 843624-99-7), with molecular formula C27H29NO5 and molecular weight 447.20 g/mol. IUPAC: benzyl 3-methyl-2-(6-oxo-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-3-yl)butanoate.
Chemical Property Profile of benzyl 3-methyl-2-(6-oxo-7,8,9,10-tetrahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-3(2H,4H,6H)-yl)butanoate
Property Insights of benzyl 3-methyl-2-(6-oxo-7,8,9,10-tetrahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-3(2H,4H,6H)-yl)butanoate
The XLogP value of 4.5917 indicates that benzyl 3-methyl-2-(6-oxo-7,8,9,10-tetrahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-3(2H,4H,6H)-yl)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.98 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl 3-methyl-2-(6-oxo-7,8,9,10-tetrahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-3(2H,4H,6H)-yl)butanoate. Following Lipinski's Rule of Five, benzyl 3-methyl-2-(6-oxo-7,8,9,10-tetrahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-3(2H,4H,6H)-yl)butanoate has 0 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 benzyl 3-methyl-2-(6-oxo-7,8,9,10-tetrahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-3(2H,4H,6H)-yl)butanoate?
The CAS number of benzyl 3-methyl-2-(6-oxo-7,8,9,10-tetrahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-3(2H,4H,6H)-yl)butanoate is 843624-99-7.
What is the molecular formula of benzyl 3-methyl-2-(6-oxo-7,8,9,10-tetrahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-3(2H,4H,6H)-yl)butanoate?
The molecular formula of benzyl 3-methyl-2-(6-oxo-7,8,9,10-tetrahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-3(2H,4H,6H)-yl)butanoate is C27H29NO5.
What is the molecular weight of benzyl 3-methyl-2-(6-oxo-7,8,9,10-tetrahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-3(2H,4H,6H)-yl)butanoate?
The molecular weight of benzyl 3-methyl-2-(6-oxo-7,8,9,10-tetrahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-3(2H,4H,6H)-yl)butanoate is 447.20 g/mol.
Where can I buy benzyl 3-methyl-2-(6-oxo-7,8,9,10-tetrahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-3(2H,4H,6H)-yl)butanoate?
You can request a quote for benzyl 3-methyl-2-(6-oxo-7,8,9,10-tetrahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-3(2H,4H,6H)-yl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl 3-methyl-2-(6-oxo-7,8,9,10-tetrahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-3(2H,4H,6H)-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 3-methyl-2-(6-oxo-7,8,9,10-tetrahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-3(2H,4H,6H)-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.