1-(Adamantan-1-yl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
TL;DR: 1-(Adamantan-1-yl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea (CAS 313403-16-6) is a chemical compound with molecular formula C19H23N3O2S and molecular weight 357.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
Also Known As: BIM-0005543.P001, VU0057791-2, 1-(adamantan-1-yl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea, 1-(1-adamantyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea, F0413-0037
| Molecular Formula | C19H23N3O2S |
|---|---|
| Molecular Weight | 357.15 g/mol |
| LogP | 4.3952 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.1511 |
| Heavy Atoms | 25 |
| Complexity | 795.89935 |
Chemical Identifiers
| CAS Number | 313403-16-6 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N=C(S2)NC(=O)NC34CC5CC(C3)CC(C5)C4 |
Product Overview
1-(Adamantan-1-yl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea (CAS 313403-16-6), with molecular formula C19H23N3O2S and molecular weight 357.15 g/mol. IUPAC: 1-(1-adamantyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea.
Chemical Property Profile of 1-(Adamantan-1-yl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
Property Insights of 1-(Adamantan-1-yl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
The XLogP value of 4.3952 indicates that 1-(Adamantan-1-yl)-3-(6-methoxy-1,3-benzothiazol-2-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-(Adamantan-1-yl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea. Following Lipinski's Rule of Five, 1-(Adamantan-1-yl)-3-(6-methoxy-1,3-benzothiazol-2-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-(Adamantan-1-yl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea?
The CAS number of 1-(Adamantan-1-yl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea is 313403-16-6.
What is the molecular formula of 1-(Adamantan-1-yl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea?
The molecular formula of 1-(Adamantan-1-yl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea is C19H23N3O2S.
What is the molecular weight of 1-(Adamantan-1-yl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea?
The molecular weight of 1-(Adamantan-1-yl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea is 357.15 g/mol.
Where can I buy 1-(Adamantan-1-yl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea?
You can request a quote for 1-(Adamantan-1-yl)-3-(6-methoxy-1,3-benzothiazol-2-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-(Adamantan-1-yl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(Adamantan-1-yl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.