![11-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one structure](/static/products/877/877800-40-3.png)
11-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
TL;DR: 11-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one (CAS 877800-40-3) is a chemical compound with molecular formula C22H18ClNO5 and molecular weight 411.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,17-dioxa-4-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-16-one
Also Known As: 11-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one, 11-chloro-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
| Molecular Formula | C22H18ClNO5 |
|---|---|
| Molecular Weight | 411.09 g/mol |
| LogP | 4.0628 |
| Topological Polar Surface Area | 61.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 411.08734 |
| Heavy Atoms | 29 |
| Complexity | 1218.2738 |
Chemical Identifiers
| CAS Number | 877800-40-3 |
|---|---|
| SMILES | C1CC2=C(C1)C(=O)OC3=C4CN(COC4=C(C=C23)Cl)C5=CC6=C(C=C5)OCCO6 |
Product Overview
11-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one (CAS 877800-40-3), with molecular formula C22H18ClNO5 and molecular weight 411.09 g/mol. IUPAC: 8-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,17-dioxa-4-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-16-one.
Chemical Property Profile of 11-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
Property Insights of 11-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
The XLogP value of 4.0628 indicates that 11-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-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 11-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-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, 11-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-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 11-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one?
The CAS number of 11-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one is 877800-40-3.
What is the molecular formula of 11-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one?
The molecular formula of 11-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one is C22H18ClNO5.
What is the molecular weight of 11-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one?
The molecular weight of 11-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one is 411.09 g/mol.
Where can I buy 11-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-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 11-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-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 11-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-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 11-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-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.