![3-(1,3-benzodioxol-5-ylmethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one structure](/static/products/858/858768-99-7.png)
3-(1,3-benzodioxol-5-ylmethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
TL;DR: 3-(1,3-benzodioxol-5-ylmethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one (CAS 858768-99-7) is a chemical compound with molecular formula C22H19NO5 and molecular weight 377.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-ylmethyl)-6,17-dioxa-4-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8,11(15)-tetraen-16-one
Also Known As: 3-(1,3-benzodioxol-5-ylmethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one, 3-(benzo[d][1,3]dioxol-5-ylmethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
| Molecular Formula | C22H19NO5 |
|---|---|
| Molecular Weight | 377.13 g/mol |
| LogP | 3.3625 |
| Topological Polar Surface Area | 61.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.1263 |
| Heavy Atoms | 28 |
| Complexity | 1165.7814 |
Chemical Identifiers
| CAS Number | 858768-99-7 |
|---|---|
| SMILES | C1CC2=C(C1)C(=O)OC3=C2C=CC4=C3CN(CO4)CC5=CC6=C(C=C5)OCO6 |
Product Overview
3-(1,3-benzodioxol-5-ylmethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one (CAS 858768-99-7), with molecular formula C22H19NO5 and molecular weight 377.13 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylmethyl)-6,17-dioxa-4-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8,11(15)-tetraen-16-one.
Chemical Property Profile of 3-(1,3-benzodioxol-5-ylmethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
Property Insights of 3-(1,3-benzodioxol-5-ylmethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
The XLogP value of 3.3625 indicates that 3-(1,3-benzodioxol-5-ylmethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[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. The TPSA of 61.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzodioxol-5-ylmethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one. Following Lipinski's Rule of Five, 3-(1,3-benzodioxol-5-ylmethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one 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 3-(1,3-benzodioxol-5-ylmethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one?
The CAS number of 3-(1,3-benzodioxol-5-ylmethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one is 858768-99-7.
What is the molecular formula of 3-(1,3-benzodioxol-5-ylmethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one?
The molecular formula of 3-(1,3-benzodioxol-5-ylmethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one is C22H19NO5.
What is the molecular weight of 3-(1,3-benzodioxol-5-ylmethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one?
The molecular weight of 3-(1,3-benzodioxol-5-ylmethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one is 377.13 g/mol.
Where can I buy 3-(1,3-benzodioxol-5-ylmethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one?
You can request a quote for 3-(1,3-benzodioxol-5-ylmethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[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-(1,3-benzodioxol-5-ylmethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzodioxol-5-ylmethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[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.