![3-{5-[Bis(2-chloroethyl)amino]-1h-indol-3-yl}propanoic acid structure](/static/products/939/93989-80-1.png)
3-{5-[Bis(2-chloroethyl)amino]-1h-indol-3-yl}propanoic acid
TL;DR: 3-{5-[Bis(2-chloroethyl)amino]-1h-indol-3-yl}propanoic acid (CAS 93989-80-1) is a chemical compound with molecular formula C15H18Cl2N2O2 and molecular weight 328.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]propanoic acid
Also Known As: 3-{5-[bis(2-chloroethyl)amino]-1h-indol-3-yl}propanoic acid, 3-(5-(Bis(2-chloroethyl)amino)-1H-indol-3-yl)propanoic acid, 3-[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]propanoic acid, Indole-3-propionic acid, 5-[bis(2-chloroethyl)amino]-, 1H-Indole-3-propionic acid, 5-[bis(2-chloroethyl)amino]-
| Molecular Formula | C15H18Cl2N2O2 |
|---|---|
| Molecular Weight | 328.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 56.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 328.07452 |
| Heavy Atoms | 21 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 93989-80-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1N(CCCl)CCCl)C(=CN2)CCC(=O)O |
| InChIKey | NNMLNBTUJCDHBL-UHFFFAOYSA-N |
Product Overview
3-{5-[Bis(2-chloroethyl)amino]-1h-indol-3-yl}propanoic acid (CAS 93989-80-1), with molecular formula C15H18Cl2N2O2 and molecular weight 328.07 g/mol. IUPAC: 3-[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]propanoic acid.
Chemical Property Profile of 3-{5-[Bis(2-chloroethyl)amino]-1h-indol-3-yl}propanoic acid
Property Insights of 3-{5-[Bis(2-chloroethyl)amino]-1h-indol-3-yl}propanoic acid
The XLogP value of 3.1 indicates that 3-{5-[Bis(2-chloroethyl)amino]-1h-indol-3-yl}propanoic 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, 3-{5-[Bis(2-chloroethyl)amino]-1h-indol-3-yl}propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{5-[Bis(2-chloroethyl)amino]-1h-indol-3-yl}propanoic 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 3-{5-[Bis(2-chloroethyl)amino]-1h-indol-3-yl}propanoic acid?
The CAS number of 3-{5-[Bis(2-chloroethyl)amino]-1h-indol-3-yl}propanoic acid is 93989-80-1.
What is the molecular formula of 3-{5-[Bis(2-chloroethyl)amino]-1h-indol-3-yl}propanoic acid?
The molecular formula of 3-{5-[Bis(2-chloroethyl)amino]-1h-indol-3-yl}propanoic acid is C15H18Cl2N2O2.
What is the molecular weight of 3-{5-[Bis(2-chloroethyl)amino]-1h-indol-3-yl}propanoic acid?
The molecular weight of 3-{5-[Bis(2-chloroethyl)amino]-1h-indol-3-yl}propanoic acid is 328.07 g/mol.
Where can I buy 3-{5-[Bis(2-chloroethyl)amino]-1h-indol-3-yl}propanoic acid?
You can request a quote for 3-{5-[Bis(2-chloroethyl)amino]-1h-indol-3-yl}propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{5-[Bis(2-chloroethyl)amino]-1h-indol-3-yl}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{5-[Bis(2-chloroethyl)amino]-1h-indol-3-yl}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.