2,5-Methanonaphth(1,2-d)oxepin-4(2H)-one, 8,10-dichloro-1,5,5a,6,7,11b-hexahydro-9-(2-hydroxy-1-methylethyl)-5,11b-dimethyl-
TL;DR: 2,5-Methanonaphth(1,2-d)oxepin-4(2H)-one, 8,10-dichloro-1,5,5a,6,7,11b-hexahydro-9-(2-hydroxy-1-methylethyl)-5,11b-dimethyl- (CAS 86551-26-0) is a chemical compound with molecular formula C20H24Cl2O3 and molecular weight 382.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dichloro-7-(1-hydroxypropan-2-yl)-1,11-dimethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadeca-5,7,9-trien-15-one
Also Known As: 2,5-Methanonaphth(1,2-d)oxepin-4(2H)-one, 8,10-dichloro-1,5,5a,6,7,11b-hexahydro-9-(2-hydroxy-1-methylethyl)-5,11b-dimethyl-, 12,14-dichloro-16-hydroxy-2,18-epoxyabieta-8(14),9(11),12-trien-18-one
| Molecular Formula | C20H24Cl2O3 |
|---|---|
| Molecular Weight | 382.11 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.11026 |
| Heavy Atoms | 25 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 86551-26-0 |
|---|---|
| SMILES | CC(CO)C1=C(C=C2C(=C1Cl)CCC3C2(CC4CC3(C(=O)O4)C)C)Cl |
| InChIKey | FMVGGWANZYHLNP-UHFFFAOYSA-N |
Product Overview
2,5-Methanonaphth(1,2-d)oxepin-4(2H)-one, 8,10-dichloro-1,5,5a,6,7,11b-hexahydro-9-(2-hydroxy-1-methylethyl)-5,11b-dimethyl- (CAS 86551-26-0), with molecular formula C20H24Cl2O3 and molecular weight 382.11 g/mol. IUPAC: 6,8-dichloro-7-(1-hydroxypropan-2-yl)-1,11-dimethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadeca-5,7,9-trien-15-one.
Chemical Property Profile of 2,5-Methanonaphth(1,2-d)oxepin-4(2H)-one, 8,10-dichloro-1,5,5a,6,7,11b-hexahydro-9-(2-hydroxy-1-methylethyl)-5,11b-dimethyl-
Property Insights of 2,5-Methanonaphth(1,2-d)oxepin-4(2H)-one, 8,10-dichloro-1,5,5a,6,7,11b-hexahydro-9-(2-hydroxy-1-methylethyl)-5,11b-dimethyl-
The XLogP value of 5.1 indicates that 2,5-Methanonaphth(1,2-d)oxepin-4(2H)-one, 8,10-dichloro-1,5,5a,6,7,11b-hexahydro-9-(2-hydroxy-1-methylethyl)-5,11b-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 2,5-Methanonaphth(1,2-d)oxepin-4(2H)-one, 8,10-dichloro-1,5,5a,6,7,11b-hexahydro-9-(2-hydroxy-1-methylethyl)-5,11b-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Methanonaphth(1,2-d)oxepin-4(2H)-one, 8,10-dichloro-1,5,5a,6,7,11b-hexahydro-9-(2-hydroxy-1-methylethyl)-5,11b-dimethyl- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,5-Methanonaphth(1,2-d)oxepin-4(2H)-one, 8,10-dichloro-1,5,5a,6,7,11b-hexahydro-9-(2-hydroxy-1-methylethyl)-5,11b-dimethyl-?
The CAS number of 2,5-Methanonaphth(1,2-d)oxepin-4(2H)-one, 8,10-dichloro-1,5,5a,6,7,11b-hexahydro-9-(2-hydroxy-1-methylethyl)-5,11b-dimethyl- is 86551-26-0.
What is the molecular formula of 2,5-Methanonaphth(1,2-d)oxepin-4(2H)-one, 8,10-dichloro-1,5,5a,6,7,11b-hexahydro-9-(2-hydroxy-1-methylethyl)-5,11b-dimethyl-?
The molecular formula of 2,5-Methanonaphth(1,2-d)oxepin-4(2H)-one, 8,10-dichloro-1,5,5a,6,7,11b-hexahydro-9-(2-hydroxy-1-methylethyl)-5,11b-dimethyl- is C20H24Cl2O3.
What is the molecular weight of 2,5-Methanonaphth(1,2-d)oxepin-4(2H)-one, 8,10-dichloro-1,5,5a,6,7,11b-hexahydro-9-(2-hydroxy-1-methylethyl)-5,11b-dimethyl-?
The molecular weight of 2,5-Methanonaphth(1,2-d)oxepin-4(2H)-one, 8,10-dichloro-1,5,5a,6,7,11b-hexahydro-9-(2-hydroxy-1-methylethyl)-5,11b-dimethyl- is 382.11 g/mol.
Where can I buy 2,5-Methanonaphth(1,2-d)oxepin-4(2H)-one, 8,10-dichloro-1,5,5a,6,7,11b-hexahydro-9-(2-hydroxy-1-methylethyl)-5,11b-dimethyl-?
You can request a quote for 2,5-Methanonaphth(1,2-d)oxepin-4(2H)-one, 8,10-dichloro-1,5,5a,6,7,11b-hexahydro-9-(2-hydroxy-1-methylethyl)-5,11b-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Methanonaphth(1,2-d)oxepin-4(2H)-one, 8,10-dichloro-1,5,5a,6,7,11b-hexahydro-9-(2-hydroxy-1-methylethyl)-5,11b-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Methanonaphth(1,2-d)oxepin-4(2H)-one, 8,10-dichloro-1,5,5a,6,7,11b-hexahydro-9-(2-hydroxy-1-methylethyl)-5,11b-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.