(5-Acetyl-2-methoxyphenyl)methyl 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoate
TL;DR: (5-Acetyl-2-methoxyphenyl)methyl 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoate (CAS 733019-14-2) is a chemical compound with molecular formula C21H22ClNO6S and molecular weight 451.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-acetyl-2-methoxyphenyl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
Also Known As: (5-Acetyl-2-methoxyphenyl)methyl 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoate, (5-acetyl-2-methoxyphenyl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate, (5-acetyl-2-methoxyphenyl)methyl 4-chloro-3-(pyrrolidine-1-sulfonyl)benzoate
| Molecular Formula | C21H22ClNO6S |
|---|---|
| Molecular Weight | 451.09 g/mol |
| LogP | 3.6927 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.08563 |
| Heavy Atoms | 30 |
| Complexity | 1076.8993 |
Chemical Identifiers
| CAS Number | 733019-14-2 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3 |
Product Overview
(5-Acetyl-2-methoxyphenyl)methyl 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoate (CAS 733019-14-2), with molecular formula C21H22ClNO6S and molecular weight 451.09 g/mol. IUPAC: (5-acetyl-2-methoxyphenyl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate.
Chemical Property Profile of (5-Acetyl-2-methoxyphenyl)methyl 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoate
Property Insights of (5-Acetyl-2-methoxyphenyl)methyl 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoate
The XLogP value of 3.6927 indicates that (5-Acetyl-2-methoxyphenyl)methyl 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Acetyl-2-methoxyphenyl)methyl 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoate. Following Lipinski's Rule of Five, (5-Acetyl-2-methoxyphenyl)methyl 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoate 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 (5-Acetyl-2-methoxyphenyl)methyl 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoate?
The CAS number of (5-Acetyl-2-methoxyphenyl)methyl 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoate is 733019-14-2.
What is the molecular formula of (5-Acetyl-2-methoxyphenyl)methyl 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoate?
The molecular formula of (5-Acetyl-2-methoxyphenyl)methyl 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoate is C21H22ClNO6S.
What is the molecular weight of (5-Acetyl-2-methoxyphenyl)methyl 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoate?
The molecular weight of (5-Acetyl-2-methoxyphenyl)methyl 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoate is 451.09 g/mol.
Where can I buy (5-Acetyl-2-methoxyphenyl)methyl 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoate?
You can request a quote for (5-Acetyl-2-methoxyphenyl)methyl 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Acetyl-2-methoxyphenyl)methyl 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (5-Acetyl-2-methoxyphenyl)methyl 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.