Ethyl 4-(3-(phenylsulfonyl)propanamido)benzoate
TL;DR: Ethyl 4-(3-(phenylsulfonyl)propanamido)benzoate (CAS 868676-83-9) is a chemical compound with molecular formula C18H19NO5S and molecular weight 361.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(benzenesulfonyl)propanoylamino]benzoate
Also Known As: ethyl 4-(3-(phenylsulfonyl)propanamido)benzoate, ETHYL 4-[3-(BENZENESULFONYL)PROPANAMIDO]BENZOATE, ethyl 4-[3-(benzenesulfonyl)propanoylamino]benzoate, F1821-0639, ethyl p-[3-(phenylsulfonyl)propionylamino]benzoate
| Molecular Formula | C18H19NO5S |
|---|---|
| Molecular Weight | 361.10 g/mol |
| LogP | 2.6658 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 361.0984 |
| Heavy Atoms | 25 |
| Complexity | 829.52997 |
Chemical Identifiers
| CAS Number | 868676-83-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=CC=C2 |
Product Overview
Ethyl 4-(3-(phenylsulfonyl)propanamido)benzoate (CAS 868676-83-9), with molecular formula C18H19NO5S and molecular weight 361.10 g/mol. IUPAC: ethyl 4-[3-(benzenesulfonyl)propanoylamino]benzoate.
Chemical Property Profile of Ethyl 4-(3-(phenylsulfonyl)propanamido)benzoate
Property Insights of Ethyl 4-(3-(phenylsulfonyl)propanamido)benzoate
The XLogP value of 2.6658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(3-(phenylsulfonyl)propanamido)benzoate. The TPSA of 89.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(3-(phenylsulfonyl)propanamido)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(3-(phenylsulfonyl)propanamido)benzoate has 1 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 Ethyl 4-(3-(phenylsulfonyl)propanamido)benzoate?
The CAS number of Ethyl 4-(3-(phenylsulfonyl)propanamido)benzoate is 868676-83-9.
What is the molecular formula of Ethyl 4-(3-(phenylsulfonyl)propanamido)benzoate?
The molecular formula of Ethyl 4-(3-(phenylsulfonyl)propanamido)benzoate is C18H19NO5S.
What is the molecular weight of Ethyl 4-(3-(phenylsulfonyl)propanamido)benzoate?
The molecular weight of Ethyl 4-(3-(phenylsulfonyl)propanamido)benzoate is 361.10 g/mol.
Where can I buy Ethyl 4-(3-(phenylsulfonyl)propanamido)benzoate?
You can request a quote for Ethyl 4-(3-(phenylsulfonyl)propanamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(3-(phenylsulfonyl)propanamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3-(phenylsulfonyl)propanamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.