4-Methoxyphenyl 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoate
TL;DR: 4-Methoxyphenyl 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoate (CAS 352671-84-2) is a chemical compound with molecular formula C18H18ClNO5S and molecular weight 395.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl) 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate
Also Known As: BAS 07022307, 4-methoxyphenyl 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoate, (4-methoxyphenyl) 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate, 2-Chloro-5-(pyrrolidine-1-sulfonyl)-benzoic acid 4-methoxy-phenyl ester, 4-methoxyphenyl 2-chloro-5-(pyrrolidinylsulfonyl)benzoate
| Molecular Formula | C18H18ClNO5S |
|---|---|
| Molecular Weight | 395.06 g/mol |
| LogP | 3.3523 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.05942 |
| Heavy Atoms | 26 |
| Complexity | 905.6787 |
Chemical Identifiers
| CAS Number | 352671-84-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl |
Product Overview
4-Methoxyphenyl 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoate (CAS 352671-84-2), with molecular formula C18H18ClNO5S and molecular weight 395.06 g/mol. IUPAC: (4-methoxyphenyl) 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate.
Chemical Property Profile of 4-Methoxyphenyl 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoate
Property Insights of 4-Methoxyphenyl 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoate
The XLogP value of 3.3523 indicates that 4-Methoxyphenyl 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxyphenyl 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoate. Following Lipinski's Rule of Five, 4-Methoxyphenyl 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoate has 0 hydrogen bond donor(s) and 5 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 4-Methoxyphenyl 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoate?
The CAS number of 4-Methoxyphenyl 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoate is 352671-84-2.
What is the molecular formula of 4-Methoxyphenyl 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoate?
The molecular formula of 4-Methoxyphenyl 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoate is C18H18ClNO5S.
What is the molecular weight of 4-Methoxyphenyl 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoate?
The molecular weight of 4-Methoxyphenyl 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoate is 395.06 g/mol.
Where can I buy 4-Methoxyphenyl 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoate?
You can request a quote for 4-Methoxyphenyl 2-chloro-5-(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 4-Methoxyphenyl 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxyphenyl 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.