Carbamic acid, hexyl-, 2,3,4,5-tetrahydro-2-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)
TL;DR: Carbamic acid, hexyl-, 2,3,4,5-tetrahydro-2-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) (CAS 156693-32-2) is a chemical compound with molecular formula C39H46N2O10 and molecular weight 702.31525 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;hexyl-(9-methyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-yl)carbamic acid
Also Known As: Carbamic acid, hexyl-, 2,3,4,5-tetrahydro-2-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1), (2R,3R)-2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--hexyl(2-methyl-2,3,4,5-tetrahydro-1H-1,5-methano-2-benzazepin-7-yl)carbamic acid (1/1), 2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--hexyl(2-methyl-2,3,4,5-tetrahydro-1H-1,5-methano-2-benzazepin-7-yl)carbamic acid (1/1)
Technical Specifications
| Molecular Formula | C39H46N2O10 |
| Molecular Weight | 702.31525 g/mol |
| XLogP | 6.83884 |
| Topological Polar Surface Area (TPSA) | 171.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 702.31525 Da |
| Heavy Atoms | 51 |
| Complexity | 947.0 |
| SMILES | CCCCCCN(C1=CC2=C(C=C1)C3CC2CCN3C)C(=O)O.CC1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O |
| InChIKey | IFBGFNCPZJWLQT-QNBGGDODSA-N |
Chemical Property Profile of Carbamic acid, hexyl-, 2,3,4,5-tetrahydro-2-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)
Property Insights of Carbamic acid, hexyl-, 2,3,4,5-tetrahydro-2-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)
The XLogP value of 6.83884 indicates that Carbamic acid, hexyl-, 2,3,4,5-tetrahydro-2-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.0 Ų indicates high polarity, suggesting Carbamic acid, hexyl-, 2,3,4,5-tetrahydro-2-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbamic acid, hexyl-, 2,3,4,5-tetrahydro-2-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Carbamic acid, hexyl-, 2,3,4,5-tetrahydro-2-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)?
The CAS number of Carbamic acid, hexyl-, 2,3,4,5-tetrahydro-2-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) is 156693-32-2.
What is the molecular formula of Carbamic acid, hexyl-, 2,3,4,5-tetrahydro-2-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)?
The molecular formula of Carbamic acid, hexyl-, 2,3,4,5-tetrahydro-2-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) is C39H46N2O10.
What is the molecular weight of Carbamic acid, hexyl-, 2,3,4,5-tetrahydro-2-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)?
The molecular weight of Carbamic acid, hexyl-, 2,3,4,5-tetrahydro-2-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) is 702.31525 g/mol.
Where can I buy Carbamic acid, hexyl-, 2,3,4,5-tetrahydro-2-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)?
You can request a quote for Carbamic acid, hexyl-, 2,3,4,5-tetrahydro-2-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamic acid, hexyl-, 2,3,4,5-tetrahydro-2-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)?
Yes, CoreyChem provides custom synthesis services for Carbamic acid, hexyl-, 2,3,4,5-tetrahydro-2-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.