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1,5-Methano-1H-2-benzazepin-7-ol, 2,3,4,5-tetrahydro-2-ethyl-, methylcarbamate (ester), (+-)-,(R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1) structure
Fine Chemical

1,5-Methano-1H-2-benzazepin-7-ol, 2,3,4,5-tetrahydro-2-ethyl-, methylcarbamate (ester), (+-)-,(R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)

TL;DR: 1,5-Methano-1H-2-benzazepin-7-ol, 2,3,4,5-tetrahydro-2-ethyl-, methylcarbamate (ester), (+-)-,(R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1) (CAS 156693-36-6) is a chemical compound with molecular formula C35H38N2O10 and molecular weight 646.2526 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;(9-ethyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-yl)-methylcarbamic acid

Also Known As: 1,5-Methano-1H-2-benzazepin-7-ol, 2,3,4,5-tetrahydro-2-ethyl-, methylcarbamate (ester), (+-)-,(R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1), (2R,3R)-2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--(2-ethyl-2,3,4,5-tetrahydro-1H-1,5-methano-2-benzazepin-7-yl)(methyl)carbamic acid (1/1), 2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--(2-ethyl-2,3,4,5-tetrahydro-1H-1,5-methano-2-benzazepin-7-yl)methylcarbamic acid (1/1)

CAS Number
156693-36-6
Molecular Formula
C35H38N2O10
Molecular Weight
646.2526 g/mol
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Technical Specifications

Molecular FormulaC35H38N2O10
Molecular Weight646.2526 g/mol
XLogP5.27844
Topological Polar Surface Area (TPSA)171.0 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors11
Rotatable Bonds11
Exact Mass646.2526 Da
Heavy Atoms47
Complexity893.0
SMILESCCN1CCC2CC1C3=C2C=C(C=C3)N(C)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
InChIKeyAMBVCSZWQXIWQJ-QNBGGDODSA-N

Chemical Property Profile of 1,5-Methano-1H-2-benzazepin-7-ol, 2,3,4,5-tetrahydro-2-ethyl-, methylcarbamate (ester), (+-)-,(R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)

XLogP
5.27844
TPSA (Topological Polar Surface Area)
171.0
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
11
Rotatable Bonds
11
Heavy Atoms
47
Complexity
893.0
Exact Mass
646.2526
Monoisotopic Mass
646.2526
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 1,5-Methano-1H-2-benzazepin-7-ol, 2,3,4,5-tetrahydro-2-ethyl-, methylcarbamate (ester), (+-)-,(R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)

The XLogP value of 5.27844 indicates that 1,5-Methano-1H-2-benzazepin-7-ol, 2,3,4,5-tetrahydro-2-ethyl-, methylcarbamate (ester), (+-)-,(R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.0 Ų indicates high polarity, suggesting 1,5-Methano-1H-2-benzazepin-7-ol, 2,3,4,5-tetrahydro-2-ethyl-, methylcarbamate (ester), (+-)-,(R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,5-Methano-1H-2-benzazepin-7-ol, 2,3,4,5-tetrahydro-2-ethyl-, methylcarbamate (ester), (+-)-,(R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1) 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 1,5-Methano-1H-2-benzazepin-7-ol, 2,3,4,5-tetrahydro-2-ethyl-, methylcarbamate (ester), (+-)-,(R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)?

The CAS number of 1,5-Methano-1H-2-benzazepin-7-ol, 2,3,4,5-tetrahydro-2-ethyl-, methylcarbamate (ester), (+-)-,(R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1) is 156693-36-6.

What is the molecular formula of 1,5-Methano-1H-2-benzazepin-7-ol, 2,3,4,5-tetrahydro-2-ethyl-, methylcarbamate (ester), (+-)-,(R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)?

The molecular formula of 1,5-Methano-1H-2-benzazepin-7-ol, 2,3,4,5-tetrahydro-2-ethyl-, methylcarbamate (ester), (+-)-,(R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1) is C35H38N2O10.

What is the molecular weight of 1,5-Methano-1H-2-benzazepin-7-ol, 2,3,4,5-tetrahydro-2-ethyl-, methylcarbamate (ester), (+-)-,(R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)?

The molecular weight of 1,5-Methano-1H-2-benzazepin-7-ol, 2,3,4,5-tetrahydro-2-ethyl-, methylcarbamate (ester), (+-)-,(R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1) is 646.2526 g/mol.

Where can I buy 1,5-Methano-1H-2-benzazepin-7-ol, 2,3,4,5-tetrahydro-2-ethyl-, methylcarbamate (ester), (+-)-,(R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)?

You can request a quote for 1,5-Methano-1H-2-benzazepin-7-ol, 2,3,4,5-tetrahydro-2-ethyl-, methylcarbamate (ester), (+-)-,(R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 1,5-Methano-1H-2-benzazepin-7-ol, 2,3,4,5-tetrahydro-2-ethyl-, methylcarbamate (ester), (+-)-,(R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (1:1:1)?

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