![3-(4-butoxyphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one structure](/static/products/859/859142-13-5.png)
3-(4-butoxyphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one
TL;DR: 3-(4-butoxyphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one (CAS 859142-13-5) is a chemical compound with molecular formula C25H27NO4 and molecular weight 405.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-butoxyphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one
Also Known As: 3-(4-butoxyphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one, 3-(4-butoxyphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one, 3-(4-butoxyphenyl)-3,4,7,8,9,10-hexahydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one
| Molecular Formula | C25H27NO4 |
|---|---|
| Molecular Weight | 405.19 g/mol |
| LogP | 5.2072 |
| Topological Polar Surface Area | 51.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.194 |
| Heavy Atoms | 30 |
| Complexity | 1116.6821 |
Chemical Identifiers
| CAS Number | 859142-13-5 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)N2CC3=C(C=CC4=C3OC(=O)C5=C4CCCC5)OC2 |
Product Overview
3-(4-butoxyphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one (CAS 859142-13-5), with molecular formula C25H27NO4 and molecular weight 405.19 g/mol. IUPAC: 3-(4-butoxyphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one.
Chemical Property Profile of 3-(4-butoxyphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one
Property Insights of 3-(4-butoxyphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one
The XLogP value of 5.2072 indicates that 3-(4-butoxyphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-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-butoxyphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-butoxyphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-butoxyphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one?
The CAS number of 3-(4-butoxyphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one is 859142-13-5.
What is the molecular formula of 3-(4-butoxyphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one?
The molecular formula of 3-(4-butoxyphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one is C25H27NO4.
What is the molecular weight of 3-(4-butoxyphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one?
The molecular weight of 3-(4-butoxyphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one is 405.19 g/mol.
Where can I buy 3-(4-butoxyphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one?
You can request a quote for 3-(4-butoxyphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-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-butoxyphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-butoxyphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.