(3-(2-Amino-2-carboxyethyl)-3-(8-xanthinyl))indolenine
TL;DR: (3-(2-Amino-2-carboxyethyl)-3-(8-xanthinyl))indolenine (CAS 5468-91-7) is a chemical compound with molecular formula C16H14N6O4 and molecular weight 354.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dioxo-3,7-dihydropurin-8-yl) 2-amino-3-(3H-indol-3-yl)propanoate
Also Known As: Sid 768720, (3-(2-Amino-2-carboxyethyl)-3-(8-xanthinyl))indolenine, 3H-Indole-3-propanoic acid, alpha-amino-3-(2,3,6,7-tetrahydro-2,6-dioxo-1H-purin-8-yl)-, (2,6-dioxo-3,7-dihydropurin-8-yl) 2-amino-3-(3H-indol-3-yl)propanoate, 2,6-Dihydroxy-9H-purin-8-yl 3-(3H-indol-3-yl)alaninate
| Molecular Formula | C16H14N6O4 |
|---|---|
| Molecular Weight | 354.11 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.10767 |
| Heavy Atoms | 26 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 5468-91-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(C=N2)CC(C(=O)OC3=NC4=C(N3)C(=O)NC(=O)N4)N |
| InChIKey | XJRPGCBTEMRPMB-UHFFFAOYSA-N |
Product Overview
(3-(2-Amino-2-carboxyethyl)-3-(8-xanthinyl))indolenine (CAS 5468-91-7), with molecular formula C16H14N6O4 and molecular weight 354.11 g/mol. IUPAC: (2,6-dioxo-3,7-dihydropurin-8-yl) 2-amino-3-(3H-indol-3-yl)propanoate.
Chemical Property Profile of (3-(2-Amino-2-carboxyethyl)-3-(8-xanthinyl))indolenine
Property Insights of (3-(2-Amino-2-carboxyethyl)-3-(8-xanthinyl))indolenine
The XLogP value of -0.3 indicates that (3-(2-Amino-2-carboxyethyl)-3-(8-xanthinyl))indolenine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 152.0 Ų indicates high polarity, suggesting (3-(2-Amino-2-carboxyethyl)-3-(8-xanthinyl))indolenine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (3-(2-Amino-2-carboxyethyl)-3-(8-xanthinyl))indolenine has 4 hydrogen bond donor(s) and 7 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-(2-Amino-2-carboxyethyl)-3-(8-xanthinyl))indolenine?
The CAS number of (3-(2-Amino-2-carboxyethyl)-3-(8-xanthinyl))indolenine is 5468-91-7.
What is the molecular formula of (3-(2-Amino-2-carboxyethyl)-3-(8-xanthinyl))indolenine?
The molecular formula of (3-(2-Amino-2-carboxyethyl)-3-(8-xanthinyl))indolenine is C16H14N6O4.
What is the molecular weight of (3-(2-Amino-2-carboxyethyl)-3-(8-xanthinyl))indolenine?
The molecular weight of (3-(2-Amino-2-carboxyethyl)-3-(8-xanthinyl))indolenine is 354.11 g/mol.
Where can I buy (3-(2-Amino-2-carboxyethyl)-3-(8-xanthinyl))indolenine?
You can request a quote for (3-(2-Amino-2-carboxyethyl)-3-(8-xanthinyl))indolenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-(2-Amino-2-carboxyethyl)-3-(8-xanthinyl))indolenine?
Yes, KEHONG BIO provides custom synthesis services for (3-(2-Amino-2-carboxyethyl)-3-(8-xanthinyl))indolenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.