3-alpha-((1-Methyl-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)tropane oxalate
TL;DR: 3-alpha-((1-Methyl-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)tropane oxalate (CAS 15620-21-0) is a chemical compound with molecular formula C26H31NO5 and molecular weight 437.2202 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,5R)-8-methyl-3-[(7-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxy]-8-azabicyclo[3.2.1]octane;oxalic acid
Also Known As: 3-alpha-((1-Methyl-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)tropane oxalate, 1-alpha-H,5-alpha-H-Tropane, 3-alpha-((10,11-dihydro-1-methyl-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-, oxalate (1:1)
Technical Specifications
| Molecular Formula | C26H31NO5 |
| Molecular Weight | 437.2202 g/mol |
| XLogP | 3.98042 |
| Topological Polar Surface Area (TPSA) | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.2202 Da |
| Heavy Atoms | 32 |
| Complexity | 550.0 |
| SMILES | CC1=C2CCC3=CC=CC=C3C(C2=CC=C1)OC4C[C@H]5CC[C@@H](C4)N5C.C(=O)(C(=O)O)O |
| InChIKey | BZJCJTAINLUPEI-ZUZHHOADSA-N |
Chemical Property Profile of 3-alpha-((1-Methyl-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)tropane oxalate
Property Insights of 3-alpha-((1-Methyl-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)tropane oxalate
The XLogP value of 3.98042 indicates that 3-alpha-((1-Methyl-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)tropane oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-alpha-((1-Methyl-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)tropane oxalate. Following Lipinski's Rule of Five, 3-alpha-((1-Methyl-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)tropane oxalate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-alpha-((1-Methyl-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)tropane oxalate?
The CAS number of 3-alpha-((1-Methyl-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)tropane oxalate is 15620-21-0.
What is the molecular formula of 3-alpha-((1-Methyl-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)tropane oxalate?
The molecular formula of 3-alpha-((1-Methyl-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)tropane oxalate is C26H31NO5.
What is the molecular weight of 3-alpha-((1-Methyl-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)tropane oxalate?
The molecular weight of 3-alpha-((1-Methyl-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)tropane oxalate is 437.2202 g/mol.
Where can I buy 3-alpha-((1-Methyl-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)tropane oxalate?
You can request a quote for 3-alpha-((1-Methyl-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)tropane oxalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-alpha-((1-Methyl-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)tropane oxalate?
Yes, CoreyChem provides custom synthesis services for 3-alpha-((1-Methyl-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)tropane oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.