![[1,4-Dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium;4-methylbenzenesulfonate structure](/static/products/4079/4079-62-3.webp)
[1,4-Dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium;4-methylbenzenesulfonate
TL;DR: [1,4-Dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium;4-methylbenzenesulfonate (CAS 4079-62-3) is a chemical compound with molecular formula C25H27NO7S and molecular weight 485.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,4-dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium;4-methylbenzenesulfonate
Also Known As: 4-Naphthalen-1-yl-morpholine, Dibenzyl 2-aminosuccinate 4-methylbenzenesulfonate, dl-aspartic acid dibenzyl ester-p-toluenesulfonate, D,L-Aspartic acid dibenzyl ester-p-toluenesulfonate, IUPAC: 1,2-bis(phenylmethoxycarbonyl)ethylazanium; 4-methylbenzenesulfonate
| Molecular Formula | C25H27NO7S |
|---|---|
| Molecular Weight | 485.15 g/mol |
| LogP | 2.37292 |
| Topological Polar Surface Area | 137.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.15082 |
| Heavy Atoms | 34 |
| Complexity | 1148.8882 |
Chemical Identifiers
| CAS Number | 4079-62-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)COC(=O)CC(C(=O)OCC2=CC=CC=C2)[NH3+] |
Product Overview
[1,4-Dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium;4-methylbenzenesulfonate (CAS 4079-62-3), with molecular formula C25H27NO7S and molecular weight 485.15 g/mol. IUPAC: [1,4-dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium;4-methylbenzenesulfonate.
Chemical Property Profile of [1,4-Dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium;4-methylbenzenesulfonate
Property Insights of [1,4-Dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium;4-methylbenzenesulfonate
The XLogP value of 2.37292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1,4-Dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium;4-methylbenzenesulfonate. The TPSA of 137.44 Ų falls within the moderate polarity range, balancing permeability and solubility for [1,4-Dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium;4-methylbenzenesulfonate. Following Lipinski's Rule of Five, [1,4-Dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium;4-methylbenzenesulfonate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [1,4-Dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium;4-methylbenzenesulfonate?
The CAS number of [1,4-Dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium;4-methylbenzenesulfonate is 4079-62-3.
What is the molecular formula of [1,4-Dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium;4-methylbenzenesulfonate?
The molecular formula of [1,4-Dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium;4-methylbenzenesulfonate is C25H27NO7S.
What is the molecular weight of [1,4-Dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium;4-methylbenzenesulfonate?
The molecular weight of [1,4-Dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium;4-methylbenzenesulfonate is 485.15 g/mol.
Where can I buy [1,4-Dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium;4-methylbenzenesulfonate?
You can request a quote for [1,4-Dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium;4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1,4-Dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium;4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [1,4-Dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium;4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.