1,3-Di-9H-xanthen-9-ylurea
TL;DR: 1,3-Di-9H-xanthen-9-ylurea (CAS 3746-45-0) is a chemical compound with molecular formula C27H20N2O3 and molecular weight 420.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(9H-xanthen-9-yl)urea
Also Known As: 1,3-Di-9H-xanthen-9-ylurea, Dixanthylharnstoff, 1,3-bis(9H-xanthen-9-yl)urea, Urea, N,N'-di-9H-xanthen-9-yl-, N,N'-Di-9H-xanthen-9-ylurea
| Molecular Formula | C27H20N2O3 |
|---|---|
| Molecular Weight | 420.15 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 420.1474 |
| Heavy Atoms | 32 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 3746-45-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)NC(=O)NC4C5=CC=CC=C5OC6=CC=CC=C46 |
| InChIKey | XWEYDSIYIFOLQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Di-9H-xanthen-9-ylurea (CAS 3746-45-0), with molecular formula C27H20N2O3 and molecular weight 420.15 g/mol. IUPAC: 1,3-bis(9H-xanthen-9-yl)urea.
Chemical Property Profile of 1,3-Di-9H-xanthen-9-ylurea
Property Insights of 1,3-Di-9H-xanthen-9-ylurea
The XLogP value of 5.0 indicates that 1,3-Di-9H-xanthen-9-ylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.6 Ų, 1,3-Di-9H-xanthen-9-ylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Di-9H-xanthen-9-ylurea 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 1,3-Di-9H-xanthen-9-ylurea?
The CAS number of 1,3-Di-9H-xanthen-9-ylurea is 3746-45-0.
What is the molecular formula of 1,3-Di-9H-xanthen-9-ylurea?
The molecular formula of 1,3-Di-9H-xanthen-9-ylurea is C27H20N2O3.
What is the molecular weight of 1,3-Di-9H-xanthen-9-ylurea?
The molecular weight of 1,3-Di-9H-xanthen-9-ylurea is 420.15 g/mol.
Where can I buy 1,3-Di-9H-xanthen-9-ylurea?
You can request a quote for 1,3-Di-9H-xanthen-9-ylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Di-9H-xanthen-9-ylurea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Di-9H-xanthen-9-ylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.