1-(2-methyl-1,3-benzothiazol-6-yl)-3-(9H-xanthen-9-yl)urea
TL;DR: 1-(2-methyl-1,3-benzothiazol-6-yl)-3-(9H-xanthen-9-yl)urea (CAS 893769-15-8) is a chemical compound with molecular formula C22H17N3O2S and molecular weight 387.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyl-1,3-benzothiazol-6-yl)-3-(9H-xanthen-9-yl)urea
Also Known As: 1-(2-methyl-1,3-benzothiazol-6-yl)-3-(9H-xanthen-9-yl)urea, A4079/0173853, N-(2-methyl-1,3-benzothiazol-6-yl)-N'-9H-xanthen-9-ylurea, 3-(2-METHYL-1,3-BENZOTHIAZOL-6-YL)-1-(9H-XANTHEN-9-YL)UREA
| Molecular Formula | C22H17N3O2S |
|---|---|
| Molecular Weight | 387.10 g/mol |
| LogP | 5.62152 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 387.10416 |
| Heavy Atoms | 28 |
| Complexity | 1155.8439 |
Chemical Identifiers
| CAS Number | 893769-15-8 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=C(C=C2)NC(=O)NC3C4=CC=CC=C4OC5=CC=CC=C35 |
Product Overview
1-(2-methyl-1,3-benzothiazol-6-yl)-3-(9H-xanthen-9-yl)urea (CAS 893769-15-8), with molecular formula C22H17N3O2S and molecular weight 387.10 g/mol. IUPAC: 1-(2-methyl-1,3-benzothiazol-6-yl)-3-(9H-xanthen-9-yl)urea.
Chemical Property Profile of 1-(2-methyl-1,3-benzothiazol-6-yl)-3-(9H-xanthen-9-yl)urea
Property Insights of 1-(2-methyl-1,3-benzothiazol-6-yl)-3-(9H-xanthen-9-yl)urea
The XLogP value of 5.62152 indicates that 1-(2-methyl-1,3-benzothiazol-6-yl)-3-(9H-xanthen-9-yl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-methyl-1,3-benzothiazol-6-yl)-3-(9H-xanthen-9-yl)urea. Following Lipinski's Rule of Five, 1-(2-methyl-1,3-benzothiazol-6-yl)-3-(9H-xanthen-9-yl)urea has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-methyl-1,3-benzothiazol-6-yl)-3-(9H-xanthen-9-yl)urea?
The CAS number of 1-(2-methyl-1,3-benzothiazol-6-yl)-3-(9H-xanthen-9-yl)urea is 893769-15-8.
What is the molecular formula of 1-(2-methyl-1,3-benzothiazol-6-yl)-3-(9H-xanthen-9-yl)urea?
The molecular formula of 1-(2-methyl-1,3-benzothiazol-6-yl)-3-(9H-xanthen-9-yl)urea is C22H17N3O2S.
What is the molecular weight of 1-(2-methyl-1,3-benzothiazol-6-yl)-3-(9H-xanthen-9-yl)urea?
The molecular weight of 1-(2-methyl-1,3-benzothiazol-6-yl)-3-(9H-xanthen-9-yl)urea is 387.10 g/mol.
Where can I buy 1-(2-methyl-1,3-benzothiazol-6-yl)-3-(9H-xanthen-9-yl)urea?
You can request a quote for 1-(2-methyl-1,3-benzothiazol-6-yl)-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-(2-methyl-1,3-benzothiazol-6-yl)-3-(9H-xanthen-9-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-methyl-1,3-benzothiazol-6-yl)-3-(9H-xanthen-9-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.