Methyl 4-bromo-3-piperidin-1-ylsulfonylbenzoate
TL;DR: Methyl 4-bromo-3-piperidin-1-ylsulfonylbenzoate (CAS 415703-45-6) is a chemical compound with molecular formula C13H16BrNO4S and molecular weight 361.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-bromo-3-piperidin-1-ylsulfonylbenzoate
Also Known As: methyl 4-bromo-3-piperidin-1-ylsulfonylbenzoate, methyl 4-bromo-3-(piperidin-1-ylsulfonyl)benzoate, AB00081786-01
| Molecular Formula | C13H16BrNO4S |
|---|---|
| Molecular Weight | 361.00 g/mol |
| LogP | 2.4103 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.99835 |
| Heavy Atoms | 20 |
| Complexity | 608.79724 |
Chemical Identifiers
| CAS Number | 415703-45-6 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)Br)S(=O)(=O)N2CCCCC2 |
Product Overview
Methyl 4-bromo-3-piperidin-1-ylsulfonylbenzoate (CAS 415703-45-6), with molecular formula C13H16BrNO4S and molecular weight 361.00 g/mol. IUPAC: methyl 4-bromo-3-piperidin-1-ylsulfonylbenzoate.
Chemical Property Profile of Methyl 4-bromo-3-piperidin-1-ylsulfonylbenzoate
Property Insights of Methyl 4-bromo-3-piperidin-1-ylsulfonylbenzoate
The XLogP value of 2.4103 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-bromo-3-piperidin-1-ylsulfonylbenzoate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-bromo-3-piperidin-1-ylsulfonylbenzoate. Following Lipinski's Rule of Five, Methyl 4-bromo-3-piperidin-1-ylsulfonylbenzoate 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 Methyl 4-bromo-3-piperidin-1-ylsulfonylbenzoate?
The CAS number of Methyl 4-bromo-3-piperidin-1-ylsulfonylbenzoate is 415703-45-6.
What is the molecular formula of Methyl 4-bromo-3-piperidin-1-ylsulfonylbenzoate?
The molecular formula of Methyl 4-bromo-3-piperidin-1-ylsulfonylbenzoate is C13H16BrNO4S.
What is the molecular weight of Methyl 4-bromo-3-piperidin-1-ylsulfonylbenzoate?
The molecular weight of Methyl 4-bromo-3-piperidin-1-ylsulfonylbenzoate is 361.00 g/mol.
Where can I buy Methyl 4-bromo-3-piperidin-1-ylsulfonylbenzoate?
You can request a quote for Methyl 4-bromo-3-piperidin-1-ylsulfonylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-bromo-3-piperidin-1-ylsulfonylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-bromo-3-piperidin-1-ylsulfonylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.