Benzamide, 2,3-dimethoxy-5-(ethylthio)-N-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, exo-, ethanedioate (1:1)
TL;DR: Benzamide, 2,3-dimethoxy-5-(ethylthio)-N-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, exo-, ethanedioate (1:1) (CAS 83131-01-5) is a chemical compound with molecular formula C27H34N2O7S and molecular weight 530.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-ethylsulfanyl-2,3-dimethoxybenzamide;oxalic acid
Also Known As: Benzamide, 2,3-dimethoxy-5-(ethylthio)-N-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, exo-, ethanedioate (1:1), N-(8-benzyl-8-azabicyclo[3.2.1]oct-3-yl)-5-ethylsulfanyl-2,3-dimethoxy-benzamide; Oxalic Acid, N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-ethylsulfanyl-2,3-dimethoxybenzamide,oxalic acid, N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-ethylsulfanyl-2,3-dimethoxybenzamide; oxalic acid, Oxalic acid--N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(ethylsulfanyl)-2,3-dimethoxybenzene-1-carboximidic acid (1/1)
| Molecular Formula | C27H34N2O7S |
|---|---|
| Molecular Weight | 530.21 g/mol |
| LogP | 3.8968 |
| Topological Polar Surface Area | 125.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 530.2087 |
| Heavy Atoms | 37 |
| Complexity | 1069.6622 |
Chemical Identifiers
| CAS Number | 83131-01-5 |
|---|---|
| SMILES | CCSC1=CC(=C(C(=C1)OC)OC)C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4.C(=O)(C(=O)O)O |
Product Overview
Benzamide, 2,3-dimethoxy-5-(ethylthio)-N-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, exo-, ethanedioate (1:1) (CAS 83131-01-5), with molecular formula C27H34N2O7S and molecular weight 530.21 g/mol. IUPAC: N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-ethylsulfanyl-2,3-dimethoxybenzamide;oxalic acid.
Chemical Property Profile of Benzamide, 2,3-dimethoxy-5-(ethylthio)-N-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, exo-, ethanedioate (1:1)
Property Insights of Benzamide, 2,3-dimethoxy-5-(ethylthio)-N-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, exo-, ethanedioate (1:1)
The XLogP value of 3.8968 indicates that Benzamide, 2,3-dimethoxy-5-(ethylthio)-N-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, exo-, ethanedioate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, 2,3-dimethoxy-5-(ethylthio)-N-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, exo-, ethanedioate (1:1). Following Lipinski's Rule of Five, Benzamide, 2,3-dimethoxy-5-(ethylthio)-N-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, exo-, ethanedioate (1:1) has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzamide, 2,3-dimethoxy-5-(ethylthio)-N-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, exo-, ethanedioate (1:1)?
The CAS number of Benzamide, 2,3-dimethoxy-5-(ethylthio)-N-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, exo-, ethanedioate (1:1) is 83131-01-5.
What is the molecular formula of Benzamide, 2,3-dimethoxy-5-(ethylthio)-N-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, exo-, ethanedioate (1:1)?
The molecular formula of Benzamide, 2,3-dimethoxy-5-(ethylthio)-N-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, exo-, ethanedioate (1:1) is C27H34N2O7S.
What is the molecular weight of Benzamide, 2,3-dimethoxy-5-(ethylthio)-N-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, exo-, ethanedioate (1:1)?
The molecular weight of Benzamide, 2,3-dimethoxy-5-(ethylthio)-N-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, exo-, ethanedioate (1:1) is 530.21 g/mol.
Where can I buy Benzamide, 2,3-dimethoxy-5-(ethylthio)-N-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, exo-, ethanedioate (1:1)?
You can request a quote for Benzamide, 2,3-dimethoxy-5-(ethylthio)-N-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, exo-, ethanedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamide, 2,3-dimethoxy-5-(ethylthio)-N-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, exo-, ethanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, 2,3-dimethoxy-5-(ethylthio)-N-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, exo-, ethanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.