R 59494
TL;DR: R 59494 (CAS 136917-41-4) is a chemical compound with molecular formula C22H23N3OS and molecular weight 377.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N-[1-(4-phenoxybutyl)pyrrol-3-yl]-1,3-benzothiazol-2-amine
Also Known As: N-Methyl-N-(1-(4-phenoxybutyl)-3-pyrrolidinyl)-2-benzothiazolamine, N-methyl-N-[1-(4-phenoxybutyl)pyrrol-3-yl]-1,3-benzothiazol-2-amine, 2-Benzothiazolamine, N-methyl-N-(1-(4-phenoxybutyl)-1H-pyrrol-3-yl)-, N-methyl-N-(1-(4-phenoxybutyl)-1H-pyrrol-3-yl)benzo[d]thiazol-2-amine, N-Methyl-N-[1-(4-phenoxybutyl)-1H-pyrrol-3-yl]-1,3-benzothiazol-2-amine
| Molecular Formula | C22H23N3OS |
|---|---|
| Molecular Weight | 377.16 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 58.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 377.1562 |
| Heavy Atoms | 27 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 136917-41-4 |
|---|---|
| SMILES | CN(C1=CN(C=C1)CCCCOC2=CC=CC=C2)C3=NC4=CC=CC=C4S3 |
| InChIKey | PFBZXLGUUGDBNI-UHFFFAOYSA-N |
Product Overview
R 59494 (CAS 136917-41-4), with molecular formula C22H23N3OS and molecular weight 377.16 g/mol. IUPAC: N-methyl-N-[1-(4-phenoxybutyl)pyrrol-3-yl]-1,3-benzothiazol-2-amine.
Chemical Property Profile of R 59494
Property Insights of R 59494
The XLogP value of 5.4 indicates that R 59494 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.5 Ų, R 59494 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, R 59494 has 0 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 R 59494?
The CAS number of R 59494 is 136917-41-4.
What is the molecular formula of R 59494?
The molecular formula of R 59494 is C22H23N3OS.
What is the molecular weight of R 59494?
The molecular weight of R 59494 is 377.16 g/mol.
Where can I buy R 59494?
You can request a quote for R 59494 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for R 59494?
Yes, KEHONG BIO provides custom synthesis services for R 59494 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.