1-(1,2-Benzothiazol-3-yl)-3-propylurea
TL;DR: 1-(1,2-Benzothiazol-3-yl)-3-propylurea (CAS 104121-45-1) is a chemical compound with molecular formula C11H13N3OS and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,2-benzothiazol-3-yl)-3-propylurea
Also Known As: 1-(1,2-benzothiazol-3-yl)-3-propylurea, KST-1A9892, Urea, 1-(1,2-benzothiazol-3-yl)-3-propyl-, Urea,N-1,2-benzisothiazol-3-yl-N'-propyl-, N-(1,2-Benzothiazol-3-yl)-N'-propylurea
| Molecular Formula | C11H13N3OS |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 82.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.07793 |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 104121-45-1 |
|---|---|
| SMILES | CCCNC(=O)NC1=NSC2=CC=CC=C21 |
| InChIKey | BXDOHQPDTCTYJG-UHFFFAOYSA-N |
Product Overview
1-(1,2-Benzothiazol-3-yl)-3-propylurea (CAS 104121-45-1), with molecular formula C11H13N3OS and molecular weight 235.08 g/mol. IUPAC: 1-(1,2-benzothiazol-3-yl)-3-propylurea.
Chemical Property Profile of 1-(1,2-Benzothiazol-3-yl)-3-propylurea
Property Insights of 1-(1,2-Benzothiazol-3-yl)-3-propylurea
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,2-Benzothiazol-3-yl)-3-propylurea. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,2-Benzothiazol-3-yl)-3-propylurea. Following Lipinski's Rule of Five, 1-(1,2-Benzothiazol-3-yl)-3-propylurea 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-(1,2-Benzothiazol-3-yl)-3-propylurea?
The CAS number of 1-(1,2-Benzothiazol-3-yl)-3-propylurea is 104121-45-1.
What is the molecular formula of 1-(1,2-Benzothiazol-3-yl)-3-propylurea?
The molecular formula of 1-(1,2-Benzothiazol-3-yl)-3-propylurea is C11H13N3OS.
What is the molecular weight of 1-(1,2-Benzothiazol-3-yl)-3-propylurea?
The molecular weight of 1-(1,2-Benzothiazol-3-yl)-3-propylurea is 235.08 g/mol.
Where can I buy 1-(1,2-Benzothiazol-3-yl)-3-propylurea?
You can request a quote for 1-(1,2-Benzothiazol-3-yl)-3-propylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,2-Benzothiazol-3-yl)-3-propylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,2-Benzothiazol-3-yl)-3-propylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.