1-(1,3-benzodioxol-5-ylmethyl)-3-(9H-xanthen-9-yl)urea
TL;DR: 1-(1,3-benzodioxol-5-ylmethyl)-3-(9H-xanthen-9-yl)urea (CAS 893777-61-2) is a chemical compound with molecular formula C22H18N2O4 and molecular weight 374.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-ylmethyl)-3-(9H-xanthen-9-yl)urea
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-3-(9H-xanthen-9-yl)urea, AO-080/43441730, N-(1,3-benzodioxol-5-ylmethyl)-N'-(9H-xanthen-9-yl)urea, A4118/0175557, N-(1,3-benzodioxol-5-ylmethyl)-N'-9H-xanthen-9-ylurea
| Molecular Formula | C22H18N2O4 |
|---|---|
| Molecular Weight | 374.13 g/mol |
| LogP | 4.1098 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.12665 |
| Heavy Atoms | 28 |
| Complexity | 1004.7117 |
Chemical Identifiers
| CAS Number | 893777-61-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)NC3C4=CC=CC=C4OC5=CC=CC=C35 |
Product Overview
1-(1,3-benzodioxol-5-ylmethyl)-3-(9H-xanthen-9-yl)urea (CAS 893777-61-2), with molecular formula C22H18N2O4 and molecular weight 374.13 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-3-(9H-xanthen-9-yl)urea.
Chemical Property Profile of 1-(1,3-benzodioxol-5-ylmethyl)-3-(9H-xanthen-9-yl)urea
Property Insights of 1-(1,3-benzodioxol-5-ylmethyl)-3-(9H-xanthen-9-yl)urea
The XLogP value of 4.1098 indicates that 1-(1,3-benzodioxol-5-ylmethyl)-3-(9H-xanthen-9-yl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-benzodioxol-5-ylmethyl)-3-(9H-xanthen-9-yl)urea. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-ylmethyl)-3-(9H-xanthen-9-yl)urea has 2 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 1-(1,3-benzodioxol-5-ylmethyl)-3-(9H-xanthen-9-yl)urea?
The CAS number of 1-(1,3-benzodioxol-5-ylmethyl)-3-(9H-xanthen-9-yl)urea is 893777-61-2.
What is the molecular formula of 1-(1,3-benzodioxol-5-ylmethyl)-3-(9H-xanthen-9-yl)urea?
The molecular formula of 1-(1,3-benzodioxol-5-ylmethyl)-3-(9H-xanthen-9-yl)urea is C22H18N2O4.
What is the molecular weight of 1-(1,3-benzodioxol-5-ylmethyl)-3-(9H-xanthen-9-yl)urea?
The molecular weight of 1-(1,3-benzodioxol-5-ylmethyl)-3-(9H-xanthen-9-yl)urea is 374.13 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-ylmethyl)-3-(9H-xanthen-9-yl)urea?
You can request a quote for 1-(1,3-benzodioxol-5-ylmethyl)-3-(9H-xanthen-9-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-benzodioxol-5-ylmethyl)-3-(9H-xanthen-9-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-ylmethyl)-3-(9H-xanthen-9-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.