A2134/0089611
TL;DR: A2134/0089611 (CAS 97075-72-4) is a chemical compound with molecular formula C29H48N4O4 and molecular weight 516.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(diethylamino)ethyl]-5-[[3-[2-(diethylamino)ethyl]-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate
Also Known As: A2134/0089611, diethyl 5,5'-methanediylbis{4-[2-(diethylamino)ethyl]-3-methyl-1H-pyrrole-2-carboxylate}, Diethyl 5,5'-methylenebis{4-[2-(diethylamino)ethyl]-3-methyl-1H-pyrrole-2-carboxylate}, ethyl 4-(2-diethylaminoethyl)-5-[[3-(2-diethylaminoethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate, Pyrrole-2-carboxylic acid, 5,5a(2)-methylenebis[4-[2-(diethylamino)ethyl]-3-methyl-, diethyl ester
| Molecular Formula | C29H48N4O4 |
|---|---|
| Molecular Weight | 516.37 g/mol |
| LogP | 4.67244 |
| Topological Polar Surface Area | 90.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 516.36755 |
| Heavy Atoms | 37 |
| Complexity | 935.5104 |
Chemical Identifiers
| CAS Number | 97075-72-4 |
|---|---|
| SMILES | CCN(CC)CCC1=C(NC(=C1C)C(=O)OCC)CC2=C(C(=C(N2)C(=O)OCC)C)CCN(CC)CC |
Product Overview
A2134/0089611 (CAS 97075-72-4), with molecular formula C29H48N4O4 and molecular weight 516.37 g/mol. IUPAC: ethyl 4-[2-(diethylamino)ethyl]-5-[[3-[2-(diethylamino)ethyl]-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of A2134/0089611
Property Insights of A2134/0089611
The XLogP value of 4.67244 indicates that A2134/0089611 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.66 Ų falls within the moderate polarity range, balancing permeability and solubility for A2134/0089611. Following Lipinski's Rule of Five, A2134/0089611 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2134/0089611?
The CAS number of A2134/0089611 is 97075-72-4.
What is the molecular formula of A2134/0089611?
The molecular formula of A2134/0089611 is C29H48N4O4.
What is the molecular weight of A2134/0089611?
The molecular weight of A2134/0089611 is 516.37 g/mol.
Where can I buy A2134/0089611?
You can request a quote for A2134/0089611 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2134/0089611?
Yes, KEHONG BIO provides custom synthesis services for A2134/0089611 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.