![6a-(2-chloroethyl)-8,9-dimethoxy-13-(phenylacetyl)-4a,5,6,6a,12,12a,12b,12c-octahydro-6,4-(epiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-11(2h)-one structure](/static/products/3440/34403-87-7.webp)
6a-(2-chloroethyl)-8,9-dimethoxy-13-(phenylacetyl)-4a,5,6,6a,12,12a,12b,12c-octahydro-6,4-(epiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-11(2h)-one
TL;DR: 6a-(2-chloroethyl)-8,9-dimethoxy-13-(phenylacetyl)-4a,5,6,6a,12,12a,12b,12c-octahydro-6,4-(epiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-11(2h)-one (CAS 34403-87-7) is a chemical compound with molecular formula C31H33ClN2O5 and molecular weight 548.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloroethyl)-6,7-dimethoxy-19-(2-phenylacetyl)-14-oxa-10,19-diazahexacyclo[11.9.0.02,10.03,20.04,9.017,22]docosa-4,6,8,16-tetraen-11-one
Also Known As: 6a-(2-chloroethyl)-8,9-dimethoxy-13-(phenylacetyl)-4a,5,6,6a,12,12a,12b,12c-octahydro-6,4-(epiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-11(2h)-one, (1R,2S,3R,13S,20S,22R)-3-(2-chloroethyl)-6,7-dimethoxy-19-(2-phenylacetyl)-14-oxa-10,19-diazahexacyclo[11.9.0.02,10.03,20.04,9.017,22]docosa-4,6,8,16-tetraen-11-one
| Molecular Formula | C31H33ClN2O5 |
|---|---|
| Molecular Weight | 548.21 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 548.2078 |
| Heavy Atoms | 39 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 34403-87-7 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C3(C4CC5C6C3N2C(=O)CC6OCC=C5CN4C(=O)CC7=CC=CC=C7)CCCl)OC |
| InChIKey | HSQGPMQTEPQWGD-UHFFFAOYSA-N |
Product Overview
6a-(2-chloroethyl)-8,9-dimethoxy-13-(phenylacetyl)-4a,5,6,6a,12,12a,12b,12c-octahydro-6,4-(epiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-11(2h)-one (CAS 34403-87-7), with molecular formula C31H33ClN2O5 and molecular weight 548.21 g/mol. IUPAC: 3-(2-chloroethyl)-6,7-dimethoxy-19-(2-phenylacetyl)-14-oxa-10,19-diazahexacyclo[11.9.0.02,10.03,20.04,9.017,22]docosa-4,6,8,16-tetraen-11-one.
Chemical Property Profile of 6a-(2-chloroethyl)-8,9-dimethoxy-13-(phenylacetyl)-4a,5,6,6a,12,12a,12b,12c-octahydro-6,4-(epiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-11(2h)-one
Property Insights of 6a-(2-chloroethyl)-8,9-dimethoxy-13-(phenylacetyl)-4a,5,6,6a,12,12a,12b,12c-octahydro-6,4-(epiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-11(2h)-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6a-(2-chloroethyl)-8,9-dimethoxy-13-(phenylacetyl)-4a,5,6,6a,12,12a,12b,12c-octahydro-6,4-(epiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-11(2h)-one. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6a-(2-chloroethyl)-8,9-dimethoxy-13-(phenylacetyl)-4a,5,6,6a,12,12a,12b,12c-octahydro-6,4-(epiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-11(2h)-one. Following Lipinski's Rule of Five, 6a-(2-chloroethyl)-8,9-dimethoxy-13-(phenylacetyl)-4a,5,6,6a,12,12a,12b,12c-octahydro-6,4-(epiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-11(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 6a-(2-chloroethyl)-8,9-dimethoxy-13-(phenylacetyl)-4a,5,6,6a,12,12a,12b,12c-octahydro-6,4-(epiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-11(2h)-one?
The CAS number of 6a-(2-chloroethyl)-8,9-dimethoxy-13-(phenylacetyl)-4a,5,6,6a,12,12a,12b,12c-octahydro-6,4-(epiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-11(2h)-one is 34403-87-7.
What is the molecular formula of 6a-(2-chloroethyl)-8,9-dimethoxy-13-(phenylacetyl)-4a,5,6,6a,12,12a,12b,12c-octahydro-6,4-(epiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-11(2h)-one?
The molecular formula of 6a-(2-chloroethyl)-8,9-dimethoxy-13-(phenylacetyl)-4a,5,6,6a,12,12a,12b,12c-octahydro-6,4-(epiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-11(2h)-one is C31H33ClN2O5.
What is the molecular weight of 6a-(2-chloroethyl)-8,9-dimethoxy-13-(phenylacetyl)-4a,5,6,6a,12,12a,12b,12c-octahydro-6,4-(epiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-11(2h)-one?
The molecular weight of 6a-(2-chloroethyl)-8,9-dimethoxy-13-(phenylacetyl)-4a,5,6,6a,12,12a,12b,12c-octahydro-6,4-(epiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-11(2h)-one is 548.21 g/mol.
Where can I buy 6a-(2-chloroethyl)-8,9-dimethoxy-13-(phenylacetyl)-4a,5,6,6a,12,12a,12b,12c-octahydro-6,4-(epiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-11(2h)-one?
You can request a quote for 6a-(2-chloroethyl)-8,9-dimethoxy-13-(phenylacetyl)-4a,5,6,6a,12,12a,12b,12c-octahydro-6,4-(epiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-11(2h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6a-(2-chloroethyl)-8,9-dimethoxy-13-(phenylacetyl)-4a,5,6,6a,12,12a,12b,12c-octahydro-6,4-(epiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-11(2h)-one?
Yes, KEHONG BIO provides custom synthesis services for 6a-(2-chloroethyl)-8,9-dimethoxy-13-(phenylacetyl)-4a,5,6,6a,12,12a,12b,12c-octahydro-6,4-(epiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-11(2h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.