Carbonic acid,1,1-dimethylethyl 1-iodoethyl ester
TL;DR: Carbonic acid,1,1-dimethylethyl 1-iodoethyl ester (CAS 117-02-2) is a chemical compound with molecular formula C35H28N2O8S and molecular weight 636.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-aminophenyl)sulfonylaniline;4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid
Also Known As: Carbonic acid,1,1-dimethylethyl 1-iodoethyl ester, Benzenamine, 4,4'-sulfonylbis-, 4,4'-methylenebis(3-hydroxy-2-naphthalenecarboxylate) (1:1), 4,4'-methanediylbis(3-hydroxynaphthalene-2-carboxylic acid)- 4,4'-sulfonyldianiline(1:1), 4-(4-aminophenyl)sulfonylaniline; 4-[(3-carboxy-2-hydroxy-naphthalen-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid, 4,4'-Methylenebis(3-hydroxynaphthalene-2-carboxylic acid)--4,4'-sulfonyldianiline (1/1)
| Molecular Formula | C35H28N2O8S |
|---|---|
| Molecular Weight | 636.16 g/mol |
| LogP | 6.0752 |
| Topological Polar Surface Area | 210.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 636.1566 |
| Heavy Atoms | 46 |
| Complexity | 874.0 |
Chemical Identifiers
| CAS Number | 117-02-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O.C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N |
| InChIKey | QPJLFFJMTKEFAV-UHFFFAOYSA-N |
Product Overview
Carbonic acid,1,1-dimethylethyl 1-iodoethyl ester (CAS 117-02-2), with molecular formula C35H28N2O8S and molecular weight 636.16 g/mol. IUPAC: 4-(4-aminophenyl)sulfonylaniline;4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid.
Chemical Property Profile of Carbonic acid,1,1-dimethylethyl 1-iodoethyl ester
Property Insights of Carbonic acid,1,1-dimethylethyl 1-iodoethyl ester
The XLogP value of 6.0752 indicates that Carbonic acid,1,1-dimethylethyl 1-iodoethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 210.0 Ų indicates high polarity, suggesting Carbonic acid,1,1-dimethylethyl 1-iodoethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbonic acid,1,1-dimethylethyl 1-iodoethyl ester has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbonic acid,1,1-dimethylethyl 1-iodoethyl ester?
The CAS number of Carbonic acid,1,1-dimethylethyl 1-iodoethyl ester is 117-02-2.
What is the molecular formula of Carbonic acid,1,1-dimethylethyl 1-iodoethyl ester?
The molecular formula of Carbonic acid,1,1-dimethylethyl 1-iodoethyl ester is C35H28N2O8S.
What is the molecular weight of Carbonic acid,1,1-dimethylethyl 1-iodoethyl ester?
The molecular weight of Carbonic acid,1,1-dimethylethyl 1-iodoethyl ester is 636.16 g/mol.
Where can I buy Carbonic acid,1,1-dimethylethyl 1-iodoethyl ester?
You can request a quote for Carbonic acid,1,1-dimethylethyl 1-iodoethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid,1,1-dimethylethyl 1-iodoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid,1,1-dimethylethyl 1-iodoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.