4-Methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole
TL;DR: 4-Methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole (CAS 863001-40-5) is a chemical compound with molecular formula C13H16N2OS and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole
Also Known As: 4-methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole, 4-methoxy-7-methyl-2-(pyrrolidin-1-yl)-1,3-benzothiazole, AB00418341-04, 4-methoxy-7-methyl-2-pyrrolidino-1,3-benzothiazole, 4-methoxy-7-methyl-2-(pyrrolidin-1-yl)benzo[d]thiazole
| Molecular Formula | C13H16N2OS |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 3.21352 |
| Topological Polar Surface Area | 25.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.09833 |
| Heavy Atoms | 17 |
| Complexity | 543.5882 |
Chemical Identifiers
| CAS Number | 863001-40-5 |
|---|---|
| SMILES | CC1=C2C(=C(C=C1)OC)N=C(S2)N3CCCC3 |
Product Overview
4-Methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole (CAS 863001-40-5), with molecular formula C13H16N2OS and molecular weight 248.10 g/mol. IUPAC: 4-methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole.
Chemical Property Profile of 4-Methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole
Property Insights of 4-Methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole
The XLogP value of 3.21352 indicates that 4-Methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.36 Ų, 4-Methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole has 0 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 4-Methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole?
The CAS number of 4-Methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole is 863001-40-5.
What is the molecular formula of 4-Methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole?
The molecular formula of 4-Methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole is C13H16N2OS.
What is the molecular weight of 4-Methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole?
The molecular weight of 4-Methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole is 248.10 g/mol.
Where can I buy 4-Methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole?
You can request a quote for 4-Methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.