(2,5-Dimethoxyphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate
TL;DR: (2,5-Dimethoxyphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate (CAS 878243-70-0) is a chemical compound with molecular formula C21H25NO6S and molecular weight 419.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dimethoxyphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate
Also Known As: (2,5-dimethoxyphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate, (2,5-dimethoxyphenyl)methyl 3-(piperidine-1-sulfonyl)benzoate
| Molecular Formula | C21H25NO6S |
|---|---|
| Molecular Weight | 419.14 g/mol |
| LogP | 3.2354 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.14026 |
| Heavy Atoms | 29 |
| Complexity | 966.88666 |
Chemical Identifiers
| CAS Number | 878243-70-0 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3 |
Product Overview
(2,5-Dimethoxyphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate (CAS 878243-70-0), with molecular formula C21H25NO6S and molecular weight 419.14 g/mol. IUPAC: (2,5-dimethoxyphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate.
Chemical Property Profile of (2,5-Dimethoxyphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate
Property Insights of (2,5-Dimethoxyphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate
The XLogP value of 3.2354 indicates that (2,5-Dimethoxyphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,5-Dimethoxyphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate. Following Lipinski's Rule of Five, (2,5-Dimethoxyphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate has 0 hydrogen bond donor(s) and 6 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 (2,5-Dimethoxyphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate?
The CAS number of (2,5-Dimethoxyphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate is 878243-70-0.
What is the molecular formula of (2,5-Dimethoxyphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate?
The molecular formula of (2,5-Dimethoxyphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate is C21H25NO6S.
What is the molecular weight of (2,5-Dimethoxyphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate?
The molecular weight of (2,5-Dimethoxyphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate is 419.14 g/mol.
Where can I buy (2,5-Dimethoxyphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate?
You can request a quote for (2,5-Dimethoxyphenyl)methyl 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 (2,5-Dimethoxyphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2,5-Dimethoxyphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.