Carbanilic acid, 2-(diethylamino)trimethylene ester, tosylate
TL;DR: Carbanilic acid, 2-(diethylamino)trimethylene ester, tosylate (CAS 27467-08-9) is a chemical compound with molecular formula C28H35N3O7S and molecular weight 557.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(phenylcarbamoyloxy)propan-2-yl-diethylazanium;4-methylbenzenesulfonate
Also Known As: 2-(Diethylamino)trimethylene carbanilate tosylate, CARBANILIC ACID, 2-(DIETHYLAMINO)TRIMETHYLENE ESTER, TOSYLATE, 1,3-Propanediol, 2-(diethylamino)-, dicarbanilate, tosylate, 1,3-bis(phenylcarbamoyloxy)propan-2-yl-diethylazanium; 4-methylbenzenesulfonate, N,N-Diethyl-1,3-bis[(phenylcarbamoyl)oxy]propan-2-aminium 4-methylbenzene-1-sulfonate
| Molecular Formula | C28H35N3O7S |
|---|---|
| Molecular Weight | 557.22 g/mol |
| LogP | 3.68 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 557.21954 |
| Heavy Atoms | 39 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 27467-08-9 |
|---|---|
| SMILES | CC[NH+](CC)C(COC(=O)NC1=CC=CC=C1)COC(=O)NC2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | HHOYPVOUYAPXAY-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, 2-(diethylamino)trimethylene ester, tosylate (CAS 27467-08-9), with molecular formula C28H35N3O7S and molecular weight 557.22 g/mol. IUPAC: 1,3-bis(phenylcarbamoyloxy)propan-2-yl-diethylazanium;4-methylbenzenesulfonate.
Chemical Property Profile of Carbanilic acid, 2-(diethylamino)trimethylene ester, tosylate
Property Insights of Carbanilic acid, 2-(diethylamino)trimethylene ester, tosylate
The XLogP value of 3.68 indicates that Carbanilic acid, 2-(diethylamino)trimethylene ester, tosylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting Carbanilic acid, 2-(diethylamino)trimethylene ester, tosylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbanilic acid, 2-(diethylamino)trimethylene ester, tosylate 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 Carbanilic acid, 2-(diethylamino)trimethylene ester, tosylate?
The CAS number of Carbanilic acid, 2-(diethylamino)trimethylene ester, tosylate is 27467-08-9.
What is the molecular formula of Carbanilic acid, 2-(diethylamino)trimethylene ester, tosylate?
The molecular formula of Carbanilic acid, 2-(diethylamino)trimethylene ester, tosylate is C28H35N3O7S.
What is the molecular weight of Carbanilic acid, 2-(diethylamino)trimethylene ester, tosylate?
The molecular weight of Carbanilic acid, 2-(diethylamino)trimethylene ester, tosylate is 557.22 g/mol.
Where can I buy Carbanilic acid, 2-(diethylamino)trimethylene ester, tosylate?
You can request a quote for Carbanilic acid, 2-(diethylamino)trimethylene ester, tosylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilic acid, 2-(diethylamino)trimethylene ester, tosylate?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, 2-(diethylamino)trimethylene ester, tosylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.