![Indole-3-acetic acid, 5-[bis(2-chloroethyl)amino]-, ethyl ester structure](/static/products/963/96304-57-3.png)
Indole-3-acetic acid, 5-[bis(2-chloroethyl)amino]-, ethyl ester
TL;DR: Indole-3-acetic acid, 5-[bis(2-chloroethyl)amino]-, ethyl ester (CAS 96304-57-3) is a chemical compound with molecular formula C16H20Cl2N2O2 and molecular weight 342.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]acetate
Also Known As: 1H-Indole-3-acetic acid, ethyl ester, INDOLE-3-ACETIC ACID, ETHYL ESTER, Indole-3-acetic acid, 5-[bis(2-chloroethyl)amino]-, ethyl ester, Ethyl 2-(5-(bis(2-chloroethyl)amino)-1H-indol-3-yl)acetate, ethyl 2-[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]acetate
| Molecular Formula | C16H20Cl2N2O2 |
|---|---|
| Molecular Weight | 342.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 342.09018 |
| Heavy Atoms | 22 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 96304-57-3 |
|---|---|
| SMILES | CCOC(=O)CC1=CNC2=C1C=C(C=C2)N(CCCl)CCCl |
| InChIKey | YQIBBQQNYOSHBS-UHFFFAOYSA-N |
Product Overview
Indole-3-acetic acid, 5-[bis(2-chloroethyl)amino]-, ethyl ester (CAS 96304-57-3), with molecular formula C16H20Cl2N2O2 and molecular weight 342.09 g/mol. IUPAC: ethyl 2-[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]acetate.
Chemical Property Profile of Indole-3-acetic acid, 5-[bis(2-chloroethyl)amino]-, ethyl ester
Property Insights of Indole-3-acetic acid, 5-[bis(2-chloroethyl)amino]-, ethyl ester
The XLogP value of 3.5 indicates that Indole-3-acetic acid, 5-[bis(2-chloroethyl)amino]-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, Indole-3-acetic acid, 5-[bis(2-chloroethyl)amino]-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole-3-acetic acid, 5-[bis(2-chloroethyl)amino]-, ethyl ester has 1 hydrogen bond donor(s) and 3 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 Indole-3-acetic acid, 5-[bis(2-chloroethyl)amino]-, ethyl ester?
The CAS number of Indole-3-acetic acid, 5-[bis(2-chloroethyl)amino]-, ethyl ester is 96304-57-3.
What is the molecular formula of Indole-3-acetic acid, 5-[bis(2-chloroethyl)amino]-, ethyl ester?
The molecular formula of Indole-3-acetic acid, 5-[bis(2-chloroethyl)amino]-, ethyl ester is C16H20Cl2N2O2.
What is the molecular weight of Indole-3-acetic acid, 5-[bis(2-chloroethyl)amino]-, ethyl ester?
The molecular weight of Indole-3-acetic acid, 5-[bis(2-chloroethyl)amino]-, ethyl ester is 342.09 g/mol.
Where can I buy Indole-3-acetic acid, 5-[bis(2-chloroethyl)amino]-, ethyl ester?
You can request a quote for Indole-3-acetic acid, 5-[bis(2-chloroethyl)amino]-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole-3-acetic acid, 5-[bis(2-chloroethyl)amino]-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Indole-3-acetic acid, 5-[bis(2-chloroethyl)amino]-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.