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Ethyl N-[4-(propan-2-yl)benzene-1-sulfonyl]-beta-alaninate
TL;DR: Ethyl N-[4-(propan-2-yl)benzene-1-sulfonyl]-beta-alaninate (CAS 1022610-34-9) is a chemical compound with molecular formula C14H21NO4S and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate
Also Known As: Ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate, Ethyl N-[4-(propan-2-yl)benzene-1-sulfonyl]-beta-alaninate, N-[[4-(1-Methylethyl)phenyl]sulfonyl]-beta-alanine ethyl ester, N-[[4-(1-Methylethyl)phenyl]sulfonyl]-I(2)-alanine ethyl ester
| Molecular Formula | C14H21NO4S |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 2.0415 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 299.11914 |
| Heavy Atoms | 20 |
| Complexity | 534.79724 |
Chemical Identifiers
| CAS Number | 1022610-34-9 |
|---|---|
| SMILES | CCOC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)C(C)C |
Product Overview
Ethyl N-[4-(propan-2-yl)benzene-1-sulfonyl]-beta-alaninate (CAS 1022610-34-9), with molecular formula C14H21NO4S and molecular weight 299.12 g/mol. IUPAC: ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate.
Chemical Property Profile of Ethyl N-[4-(propan-2-yl)benzene-1-sulfonyl]-beta-alaninate
Property Insights of Ethyl N-[4-(propan-2-yl)benzene-1-sulfonyl]-beta-alaninate
The XLogP value of 2.0415 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl N-[4-(propan-2-yl)benzene-1-sulfonyl]-beta-alaninate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl N-[4-(propan-2-yl)benzene-1-sulfonyl]-beta-alaninate. Following Lipinski's Rule of Five, Ethyl N-[4-(propan-2-yl)benzene-1-sulfonyl]-beta-alaninate has 1 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 Ethyl N-[4-(propan-2-yl)benzene-1-sulfonyl]-beta-alaninate?
The CAS number of Ethyl N-[4-(propan-2-yl)benzene-1-sulfonyl]-beta-alaninate is 1022610-34-9.
What is the molecular formula of Ethyl N-[4-(propan-2-yl)benzene-1-sulfonyl]-beta-alaninate?
The molecular formula of Ethyl N-[4-(propan-2-yl)benzene-1-sulfonyl]-beta-alaninate is C14H21NO4S.
What is the molecular weight of Ethyl N-[4-(propan-2-yl)benzene-1-sulfonyl]-beta-alaninate?
The molecular weight of Ethyl N-[4-(propan-2-yl)benzene-1-sulfonyl]-beta-alaninate is 299.12 g/mol.
Where can I buy Ethyl N-[4-(propan-2-yl)benzene-1-sulfonyl]-beta-alaninate?
You can request a quote for Ethyl N-[4-(propan-2-yl)benzene-1-sulfonyl]-beta-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl N-[4-(propan-2-yl)benzene-1-sulfonyl]-beta-alaninate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-[4-(propan-2-yl)benzene-1-sulfonyl]-beta-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.