![{5-[Bis(2-chloroethyl)amino]-1H-indol-3-yl}acetic acid structure](/static/products/922/92298-15-2.png)
{5-[Bis(2-chloroethyl)amino]-1H-indol-3-yl}acetic acid
TL;DR: {5-[Bis(2-chloroethyl)amino]-1H-indol-3-yl}acetic acid (CAS 92298-15-2) is a chemical compound with molecular formula C14H16Cl2N2O2 and molecular weight 314.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]acetic acid
Also Known As: 2-[5-[bis amino]-1H-indol-3-yl]aceticacid, 2-[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]acetic acid, {5-[Bis(2-chloroethyl)amino]-1H-indol-3-yl}acetic acid, Indole-3-acetic acid, 5-[bis(2-chloroethyl)amino]-, 1H-Indole-3-acetic acid, 5-[bis(2-chloroethyl)amino]-
| Molecular Formula | C14H16Cl2N2O2 |
|---|---|
| Molecular Weight | 314.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 56.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 314.05887 |
| Heavy Atoms | 20 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 92298-15-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1N(CCCl)CCCl)C(=CN2)CC(=O)O |
| InChIKey | XEXPXBJRHZAJJI-UHFFFAOYSA-N |
Product Overview
{5-[Bis(2-chloroethyl)amino]-1H-indol-3-yl}acetic acid (CAS 92298-15-2), with molecular formula C14H16Cl2N2O2 and molecular weight 314.06 g/mol. IUPAC: 2-[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]acetic acid.
Chemical Property Profile of {5-[Bis(2-chloroethyl)amino]-1H-indol-3-yl}acetic acid
Property Insights of {5-[Bis(2-chloroethyl)amino]-1H-indol-3-yl}acetic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {5-[Bis(2-chloroethyl)amino]-1H-indol-3-yl}acetic acid. With a topological polar surface area (TPSA) of 56.3 Ų, {5-[Bis(2-chloroethyl)amino]-1H-indol-3-yl}acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {5-[Bis(2-chloroethyl)amino]-1H-indol-3-yl}acetic 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-indol-3-yl}acetic acid?
The CAS number of {5-[Bis(2-chloroethyl)amino]-1H-indol-3-yl}acetic acid is 92298-15-2.
What is the molecular formula of {5-[Bis(2-chloroethyl)amino]-1H-indol-3-yl}acetic acid?
The molecular formula of {5-[Bis(2-chloroethyl)amino]-1H-indol-3-yl}acetic acid is C14H16Cl2N2O2.
What is the molecular weight of {5-[Bis(2-chloroethyl)amino]-1H-indol-3-yl}acetic acid?
The molecular weight of {5-[Bis(2-chloroethyl)amino]-1H-indol-3-yl}acetic acid is 314.06 g/mol.
Where can I buy {5-[Bis(2-chloroethyl)amino]-1H-indol-3-yl}acetic acid?
You can request a quote for {5-[Bis(2-chloroethyl)amino]-1H-indol-3-yl}acetic 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-indol-3-yl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {5-[Bis(2-chloroethyl)amino]-1H-indol-3-yl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.