![1-{9-cyclopentyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1,4,6,12,14,16-hexaen-5-yl}ethan-1-one structure](/static/products/4384/438486-68-1.webp)
1-{9-cyclopentyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1,4,6,12,14,16-hexaen-5-yl}ethan-1-one
TL;DR: 1-{9-cyclopentyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1,4,6,12,14,16-hexaen-5-yl}ethan-1-one (CAS 438486-68-1) is a chemical compound with molecular formula C22H23NO3 and molecular weight 349.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(9-cyclopentyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaen-5-yl)ethanone
Also Known As: 1-{9-cyclopentyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1,4,6,12,14,16-hexaen-5-yl}ethan-1-one, 3-acetyl-5-cyclopentyl-2-methyl-4H,6H-1,3-oxazino[5',6'-4,3]naphtho[1,2-b]fura n
| Molecular Formula | C22H23NO3 |
|---|---|
| Molecular Weight | 349.17 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 42.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.1678 |
| Heavy Atoms | 26 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 438486-68-1 |
|---|---|
| SMILES | CC1=C(C2=C(O1)C3=CC=CC=C3C4=C2CN(CO4)C5CCCC5)C(=O)C |
| InChIKey | CRAHWOUKUCXTET-UHFFFAOYSA-N |
Product Overview
1-{9-cyclopentyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1,4,6,12,14,16-hexaen-5-yl}ethan-1-one (CAS 438486-68-1), with molecular formula C22H23NO3 and molecular weight 349.17 g/mol. IUPAC: 1-(9-cyclopentyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaen-5-yl)ethanone.
Chemical Property Profile of 1-{9-cyclopentyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1,4,6,12,14,16-hexaen-5-yl}ethan-1-one
Property Insights of 1-{9-cyclopentyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1,4,6,12,14,16-hexaen-5-yl}ethan-1-one
The XLogP value of 4.6 indicates that 1-{9-cyclopentyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1,4,6,12,14,16-hexaen-5-yl}ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.7 Ų, 1-{9-cyclopentyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1,4,6,12,14,16-hexaen-5-yl}ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{9-cyclopentyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1,4,6,12,14,16-hexaen-5-yl}ethan-1-one has 0 hydrogen bond donor(s) and 4 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 1-{9-cyclopentyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1,4,6,12,14,16-hexaen-5-yl}ethan-1-one?
The CAS number of 1-{9-cyclopentyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1,4,6,12,14,16-hexaen-5-yl}ethan-1-one is 438486-68-1.
What is the molecular formula of 1-{9-cyclopentyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1,4,6,12,14,16-hexaen-5-yl}ethan-1-one?
The molecular formula of 1-{9-cyclopentyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1,4,6,12,14,16-hexaen-5-yl}ethan-1-one is C22H23NO3.
What is the molecular weight of 1-{9-cyclopentyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1,4,6,12,14,16-hexaen-5-yl}ethan-1-one?
The molecular weight of 1-{9-cyclopentyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1,4,6,12,14,16-hexaen-5-yl}ethan-1-one is 349.17 g/mol.
Where can I buy 1-{9-cyclopentyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1,4,6,12,14,16-hexaen-5-yl}ethan-1-one?
You can request a quote for 1-{9-cyclopentyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1,4,6,12,14,16-hexaen-5-yl}ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{9-cyclopentyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1,4,6,12,14,16-hexaen-5-yl}ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-{9-cyclopentyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1,4,6,12,14,16-hexaen-5-yl}ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.