Betanal Tandem
TL;DR: Betanal Tandem (CAS 51279-97-1) is a chemical compound with molecular formula C29H34N2O9S and molecular weight 586.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl)methanesulfonic acid;[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate
Also Known As: Betanal tandem, 3-((Methoxycarbonyl)amino)phenyl (3-methylphenyl)carbamate mixt. with (+-)-2-ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranylmethanesulfonate, Carbamic acid, (3-methylphenyl)-, 3-((methoxycarbonyl)amino)phenyl ester, mixt. with (+-)-2-ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranylmethanesulfonate, (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl)methanesulfonic acid; [3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate, RefChem:1079730
| Molecular Formula | C29H34N2O9S |
|---|---|
| Molecular Weight | 586.20 g/mol |
| LogP | 5.89122 |
| Topological Polar Surface Area | 149.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 586.1985 |
| Heavy Atoms | 41 |
| Complexity | 1489.1075 |
Chemical Identifiers
| CAS Number | 51279-97-1 |
|---|---|
| SMILES | CCOC1C(C2=C(O1)C=CC(=C2)CS(=O)(=O)O)(C)C.CC1=CC(=CC=C1)NC(=O)OC2=CC=CC(=C2)NC(=O)OC |
Product Overview
Betanal Tandem (CAS 51279-97-1), with molecular formula C29H34N2O9S and molecular weight 586.20 g/mol. IUPAC: (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl)methanesulfonic acid;[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate.
Chemical Property Profile of Betanal Tandem
Property Insights of Betanal Tandem
The XLogP value of 5.89122 indicates that Betanal Tandem is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.49 Ų indicates high polarity, suggesting Betanal Tandem may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Betanal Tandem has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Betanal Tandem?
The CAS number of Betanal Tandem is 51279-97-1.
What is the molecular formula of Betanal Tandem?
The molecular formula of Betanal Tandem is C29H34N2O9S.
What is the molecular weight of Betanal Tandem?
The molecular weight of Betanal Tandem is 586.20 g/mol.
Where can I buy Betanal Tandem?
You can request a quote for Betanal Tandem directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Betanal Tandem?
Yes, KEHONG BIO provides custom synthesis services for Betanal Tandem and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.