Indole-2-carboxylic acid, 5-(bis(2-chloroethyl)amino)-
TL;DR: Indole-2-carboxylic acid, 5-(bis(2-chloroethyl)amino)- (CAS 733-01-7) 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-2-carboxylic acid
Also Known As: INDOLE-2-CARBOXYLIC ACID, 5-(BIS(2-CHLOROETHYL)AMINO)-, 5-(Bis(2-chloroethyl)amino)-indole-2-carboxylic acid, 5-[bis(2-chloroethyl)amino]-1H-indole-2-carboxylic acid, Indole-2-carboxylic acid, 5-[bis(2-chloroethyl)amino]-, BRN 0419461
| Molecular Formula | C13H14Cl2N2O2 |
|---|---|
| Molecular Weight | 300.04 g/mol |
| LogP | 3.6 |
| 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 | 733-01-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1N(CCCl)CCCl)C=C(N2)C(=O)O |
| InChIKey | OYPDCLOVHXBMAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Indole-2-carboxylic acid, 5-(bis(2-chloroethyl)amino)- (CAS 733-01-7), with molecular formula C13H14Cl2N2O2 and molecular weight 300.04 g/mol. IUPAC: 5-[bis(2-chloroethyl)amino]-1H-indole-2-carboxylic acid.
Chemical Property Profile of Indole-2-carboxylic acid, 5-(bis(2-chloroethyl)amino)-
Property Insights of Indole-2-carboxylic acid, 5-(bis(2-chloroethyl)amino)-
The XLogP value of 3.6 indicates that Indole-2-carboxylic acid, 5-(bis(2-chloroethyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.3 Ų, Indole-2-carboxylic acid, 5-(bis(2-chloroethyl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole-2-carboxylic acid, 5-(bis(2-chloroethyl)amino)- 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 Indole-2-carboxylic acid, 5-(bis(2-chloroethyl)amino)-?
The CAS number of Indole-2-carboxylic acid, 5-(bis(2-chloroethyl)amino)- is 733-01-7.
What is the molecular formula of Indole-2-carboxylic acid, 5-(bis(2-chloroethyl)amino)-?
The molecular formula of Indole-2-carboxylic acid, 5-(bis(2-chloroethyl)amino)- is C13H14Cl2N2O2.
What is the molecular weight of Indole-2-carboxylic acid, 5-(bis(2-chloroethyl)amino)-?
The molecular weight of Indole-2-carboxylic acid, 5-(bis(2-chloroethyl)amino)- is 300.04 g/mol.
Where can I buy Indole-2-carboxylic acid, 5-(bis(2-chloroethyl)amino)-?
You can request a quote for Indole-2-carboxylic acid, 5-(bis(2-chloroethyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole-2-carboxylic acid, 5-(bis(2-chloroethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Indole-2-carboxylic acid, 5-(bis(2-chloroethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.