![5-[bis(2-chloroethyl)amino]-1H-indole-3-carboxylic acid structure](/static/products/920/92026-89-6.png)
5-[bis(2-chloroethyl)amino]-1H-indole-3-carboxylic acid
TL;DR: 5-[bis(2-chloroethyl)amino]-1H-indole-3-carboxylic acid (CAS 92026-89-6) is a chemical compound with molecular formula C13H14Cl2N2O2 and molecular weight 300.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[bis(2-chloroethyl)amino]-1H-indole-3-carboxylic acid
Also Known As: 5-[bis(2-chloroethyl)amino]-1H-indole-3-carboxylic acid, 1H-Indole-3-carboxylicacid, 5-[bis(2-chloroethyl)amino]-, 2-{[Bis-(2-cyano-aethyl)-amino]-methyl}-4-chlor-phenol
| Molecular Formula | C13H14Cl2N2O2 |
|---|---|
| Molecular Weight | 300.04 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 56.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.04324 |
| Heavy Atoms | 19 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 92026-89-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1N(CCCl)CCCl)C(=CN2)C(=O)O |
| InChIKey | VADOEFPUDLPCSD-UHFFFAOYSA-N |
Product Overview
5-[bis(2-chloroethyl)amino]-1H-indole-3-carboxylic acid (CAS 92026-89-6), with molecular formula C13H14Cl2N2O2 and molecular weight 300.04 g/mol. IUPAC: 5-[bis(2-chloroethyl)amino]-1H-indole-3-carboxylic acid.
Chemical Property Profile of 5-[bis(2-chloroethyl)amino]-1H-indole-3-carboxylic acid
Property Insights of 5-[bis(2-chloroethyl)amino]-1H-indole-3-carboxylic acid
The XLogP value of 3.3 indicates that 5-[bis(2-chloroethyl)amino]-1H-indole-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.3 Ų, 5-[bis(2-chloroethyl)amino]-1H-indole-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[bis(2-chloroethyl)amino]-1H-indole-3-carboxylic acid has 2 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 5-[bis(2-chloroethyl)amino]-1H-indole-3-carboxylic acid?
The CAS number of 5-[bis(2-chloroethyl)amino]-1H-indole-3-carboxylic acid is 92026-89-6.
What is the molecular formula of 5-[bis(2-chloroethyl)amino]-1H-indole-3-carboxylic acid?
The molecular formula of 5-[bis(2-chloroethyl)amino]-1H-indole-3-carboxylic acid is C13H14Cl2N2O2.
What is the molecular weight of 5-[bis(2-chloroethyl)amino]-1H-indole-3-carboxylic acid?
The molecular weight of 5-[bis(2-chloroethyl)amino]-1H-indole-3-carboxylic acid is 300.04 g/mol.
Where can I buy 5-[bis(2-chloroethyl)amino]-1H-indole-3-carboxylic acid?
You can request a quote for 5-[bis(2-chloroethyl)amino]-1H-indole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[bis(2-chloroethyl)amino]-1H-indole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[bis(2-chloroethyl)amino]-1H-indole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.