1-(5-Bromo-2-methoxyphenylsulfonyl)pyrrolidine
TL;DR: 1-(5-Bromo-2-methoxyphenylsulfonyl)pyrrolidine (CAS 691381-10-9) is a chemical compound with molecular formula C11H14BrNO3S and molecular weight 318.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-bromo-2-methoxyphenyl)sulfonylpyrrolidine
Also Known As: 1-((5-bromo-2-methoxyphenyl)sulfonyl)pyrrolidine, 1-(5-BROMO-2-METHOXYPHENYLSULFONYL)PYRROLIDINE, 1- PYRROLIDINE, 1-(5-bromo-2-methoxyphenyl)sulfonylpyrrolidine, 4-Bromo-2-(pyrrolidin-1-ylsulphonyl)anisole
| Molecular Formula | C11H14BrNO3S |
|---|---|
| Molecular Weight | 318.99 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.9878 |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 691381-10-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCCC2 |
| InChIKey | FPKQJHZVAVRUQD-UHFFFAOYSA-N |
Product Overview
1-(5-Bromo-2-methoxyphenylsulfonyl)pyrrolidine (CAS 691381-10-9), with molecular formula C11H14BrNO3S and molecular weight 318.99 g/mol. IUPAC: 1-(5-bromo-2-methoxyphenyl)sulfonylpyrrolidine.
Chemical Property Profile of 1-(5-Bromo-2-methoxyphenylsulfonyl)pyrrolidine
Property Insights of 1-(5-Bromo-2-methoxyphenylsulfonyl)pyrrolidine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Bromo-2-methoxyphenylsulfonyl)pyrrolidine. With a topological polar surface area (TPSA) of 55.0 Ų, 1-(5-Bromo-2-methoxyphenylsulfonyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Bromo-2-methoxyphenylsulfonyl)pyrrolidine 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 1-(5-Bromo-2-methoxyphenylsulfonyl)pyrrolidine?
The CAS number of 1-(5-Bromo-2-methoxyphenylsulfonyl)pyrrolidine is 691381-10-9.
What is the molecular formula of 1-(5-Bromo-2-methoxyphenylsulfonyl)pyrrolidine?
The molecular formula of 1-(5-Bromo-2-methoxyphenylsulfonyl)pyrrolidine is C11H14BrNO3S.
What is the molecular weight of 1-(5-Bromo-2-methoxyphenylsulfonyl)pyrrolidine?
The molecular weight of 1-(5-Bromo-2-methoxyphenylsulfonyl)pyrrolidine is 318.99 g/mol.
Where can I buy 1-(5-Bromo-2-methoxyphenylsulfonyl)pyrrolidine?
You can request a quote for 1-(5-Bromo-2-methoxyphenylsulfonyl)pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Bromo-2-methoxyphenylsulfonyl)pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Bromo-2-methoxyphenylsulfonyl)pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.