Xanthylallantoin
TL;DR: Xanthylallantoin (CAS 87980-02-7) is a chemical compound with molecular formula C17H16N4O4 and molecular weight 340.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(9,9a-dihydro-4aH-xanthen-9-yl)-3-(2,5-dioxoimidazolidin-4-yl)urea
Also Known As: Xanthylallantoin, KST-1B9371, 1-(9,9a-dihydro-4ah-xanthen-9-yl)-3-(2,5-dioxoimidazolidin-4-yl)urea, Urea, N-(2,5-dioxo-4-imidazolidinyl)-N'-9H-xanthen-9-yl-, Urea,N-(2,5-dioxo-4-imidazolidinyl)-N'-9H-xanthen-9-yl-
| Molecular Formula | C17H16N4O4 |
|---|---|
| Molecular Weight | 340.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.11716 |
| Heavy Atoms | 25 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 87980-02-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(C3C=CC=CC3O2)NC(=O)NC4C(=O)NC(=O)N4 |
| InChIKey | WWCXJYSMNJGUKV-UHFFFAOYSA-N |
Product Overview
Xanthylallantoin (CAS 87980-02-7), with molecular formula C17H16N4O4 and molecular weight 340.12 g/mol. IUPAC: 1-(9,9a-dihydro-4aH-xanthen-9-yl)-3-(2,5-dioxoimidazolidin-4-yl)urea.
Chemical Property Profile of Xanthylallantoin
Property Insights of Xanthylallantoin
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xanthylallantoin. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Xanthylallantoin. Following Lipinski's Rule of Five, Xanthylallantoin has 4 hydrogen bond donor(s) and 4 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 Xanthylallantoin?
The CAS number of Xanthylallantoin is 87980-02-7.
What is the molecular formula of Xanthylallantoin?
The molecular formula of Xanthylallantoin is C17H16N4O4.
What is the molecular weight of Xanthylallantoin?
The molecular weight of Xanthylallantoin is 340.12 g/mol.
Where can I buy Xanthylallantoin?
You can request a quote for Xanthylallantoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthylallantoin?
Yes, KEHONG BIO provides custom synthesis services for Xanthylallantoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.