Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, mono(4-methylbenzenesulfonate)
TL;DR: Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, mono(4-methylbenzenesulfonate) (CAS 156693-34-4) is a chemical compound with molecular formula C27H38N2O5S and molecular weight 502.25015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(9-ethyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-yl) N-hexylcarbamate;4-methylbenzenesulfonic acid
Also Known As: Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, mono(4-methylbenzenesulfonate), 4-Methylbenzene-1-sulfonic acid--2-ethyl-2,3,4,5-tetrahydro-1H-1,5-methano-2-benzazepin-7-yl hydrogen hexylcarbonimidate (1/1)
Technical Specifications
| Molecular Formula | C27H38N2O5S |
| Molecular Weight | 502.25015 g/mol |
| XLogP | 5.85102 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 502.25015 Da |
| Heavy Atoms | 35 |
| Complexity | 621.0 |
| SMILES | CCCCCCNC(=O)OC1=CC2=C(C=C1)C3CC2CCN3CC.CC1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | APRZNKGAGXRWHB-UHFFFAOYSA-N |
Chemical Property Profile of Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, mono(4-methylbenzenesulfonate)
Property Insights of Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, mono(4-methylbenzenesulfonate)
The XLogP value of 5.85102 indicates that Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, mono(4-methylbenzenesulfonate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, mono(4-methylbenzenesulfonate). Following Lipinski's Rule of Five, Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, mono(4-methylbenzenesulfonate) has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, mono(4-methylbenzenesulfonate)?
The CAS number of Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, mono(4-methylbenzenesulfonate) is 156693-34-4.
What is the molecular formula of Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, mono(4-methylbenzenesulfonate)?
The molecular formula of Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, mono(4-methylbenzenesulfonate) is C27H38N2O5S.
What is the molecular weight of Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, mono(4-methylbenzenesulfonate)?
The molecular weight of Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, mono(4-methylbenzenesulfonate) is 502.25015 g/mol.
Where can I buy Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, mono(4-methylbenzenesulfonate)?
You can request a quote for Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, mono(4-methylbenzenesulfonate) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, mono(4-methylbenzenesulfonate)?
Yes, CoreyChem provides custom synthesis services for Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, mono(4-methylbenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.