![3-(4-methoxybenzyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one structure](/static/products/858/858753-87-4.png)
3-(4-methoxybenzyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
TL;DR: 3-(4-methoxybenzyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one (CAS 858753-87-4) is a chemical compound with molecular formula C24H25NO4 and molecular weight 391.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-[(4-methoxyphenyl)methyl]-10,16-dioxa-14-azatetracyclo[9.8.0.02,8.012,17]nonadeca-1(11),2(8),12(17),18-tetraen-9-one
Also Known As: 3-(4-methoxybenzyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
| Molecular Formula | C24H25NO4 |
|---|---|
| Molecular Weight | 391.18 g/mol |
| LogP | 4.4226 |
| Topological Polar Surface Area | 51.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.17834 |
| Heavy Atoms | 29 |
| Complexity | 1100.5492 |
Chemical Identifiers
| CAS Number | 858753-87-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2CC3=C(C=CC4=C3OC(=O)C5=C4CCCCC5)OC2 |
Product Overview
3-(4-methoxybenzyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one (CAS 858753-87-4), with molecular formula C24H25NO4 and molecular weight 391.18 g/mol. IUPAC: 14-[(4-methoxyphenyl)methyl]-10,16-dioxa-14-azatetracyclo[9.8.0.02,8.012,17]nonadeca-1(11),2(8),12(17),18-tetraen-9-one.
Chemical Property Profile of 3-(4-methoxybenzyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
Property Insights of 3-(4-methoxybenzyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
The XLogP value of 4.4226 indicates that 3-(4-methoxybenzyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.91 Ų, 3-(4-methoxybenzyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-methoxybenzyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one has 0 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 3-(4-methoxybenzyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one?
The CAS number of 3-(4-methoxybenzyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one is 858753-87-4.
What is the molecular formula of 3-(4-methoxybenzyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one?
The molecular formula of 3-(4-methoxybenzyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one is C24H25NO4.
What is the molecular weight of 3-(4-methoxybenzyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one?
The molecular weight of 3-(4-methoxybenzyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one is 391.18 g/mol.
Where can I buy 3-(4-methoxybenzyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one?
You can request a quote for 3-(4-methoxybenzyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-methoxybenzyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methoxybenzyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.