CTK3J8484
TL;DR: CTK3J8484 (CAS 100063-60-3) is a chemical compound with molecular formula C16H21N3O5 and molecular weight 335.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[hydroxymethyl-[2-(prop-2-enoylamino)ethyl]amino]ethylcarbamoyl]benzoic acid
Also Known As: 2-(((2-((Hydroxymethyl)(2-((1-oxoallyl)amino)ethyl)amino)ethyl)amino)carbonyl)benzoic acid, 2-[2-[hydroxymethyl-[2-(prop-2-enoylamino)ethyl]amino]ethylcarbamoyl]benzoic acid, 2-[[[2-[(HYDROXYMETHYL)[2-[(1-OXOALLYL)AMINO]ETHYL]AMINO]ETHYL]AMINO]CARBONYL]BENZOIC ACID, 2-((2-((2-Acrylamidoethyl)(hydroxymethyl)amino)ethyl)carbamoyl)benzoic acid, Benzoic acid,2-[[[2-[(hydroxymethyl)[2-[(1-oxo-2-propen-1-yl)amino]ethyl]amino]ethyl]amino]carbonyl]-
| Molecular Formula | C16H21N3O5 |
|---|---|
| Molecular Weight | 335.15 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 335.14813 |
| Heavy Atoms | 24 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 100063-60-3 |
|---|---|
| SMILES | C=CC(=O)NCCN(CCNC(=O)C1=CC=CC=C1C(=O)O)CO |
| InChIKey | XOXLECXVXJHGCC-UHFFFAOYSA-N |
Product Overview
CTK3J8484 (CAS 100063-60-3), with molecular formula C16H21N3O5 and molecular weight 335.15 g/mol. IUPAC: 2-[2-[hydroxymethyl-[2-(prop-2-enoylamino)ethyl]amino]ethylcarbamoyl]benzoic acid.
Chemical Property Profile of CTK3J8484
Property Insights of CTK3J8484
The XLogP value of -2.2 indicates that CTK3J8484 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK3J8484. Following Lipinski's Rule of Five, CTK3J8484 has 4 hydrogen bond donor(s) and 6 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 CTK3J8484?
The CAS number of CTK3J8484 is 100063-60-3.
What is the molecular formula of CTK3J8484?
The molecular formula of CTK3J8484 is C16H21N3O5.
What is the molecular weight of CTK3J8484?
The molecular weight of CTK3J8484 is 335.15 g/mol.
Where can I buy CTK3J8484?
You can request a quote for CTK3J8484 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3J8484?
Yes, KEHONG BIO provides custom synthesis services for CTK3J8484 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.