N-乙酰磺胺酸2-戊酯
TL;DR: N-乙酰磺胺酸2-戊酯 (CAS 75227-18-8) is a chemical compound with molecular formula C13H19NO4S and molecular weight 285.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-乙酰磺胺酸2-戊酯
pentan-2-yl 4-acetamidobenzenesulfonate
Also Known As: 2-Phenyl-N-acetylsulfanilate, Sulfanilic acid, N-acetyl-, 2-pentyl ester, pentan-2-yl 4-acetamidobenzenesulfonate, 4- benzenesulfonicacid1-methylbutylester, pentan-2-yl 4-(acetylamino)benzenesulfonate
| Molecular Formula | C13H19NO4S |
|---|---|
| Molecular Weight | 285.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.1035 |
| Heavy Atoms | 19 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 75227-18-8 |
|---|---|
| SMILES | CCCC(C)OS(=O)(=O)C1=CC=C(C=C1)NC(=O)C |
| InChIKey | HJEKITBPEBHUJX-UHFFFAOYSA-N |
Product Overview
N-乙酰磺胺酸2-戊酯 (CAS 75227-18-8), with molecular formula C13H19NO4S and molecular weight 285.10 g/mol. IUPAC: pentan-2-yl 4-acetamidobenzenesulfonate.
Chemical Property Profile of N-乙酰磺胺酸2-戊酯
Property Insights of N-乙酰磺胺酸2-戊酯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-乙酰磺胺酸2-戊酯. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-乙酰磺胺酸2-戊酯. Following Lipinski's Rule of Five, N-乙酰磺胺酸2-戊酯 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 N-乙酰磺胺酸2-戊酯?
The CAS number of N-乙酰磺胺酸2-戊酯 is 75227-18-8.
What is the molecular formula of N-乙酰磺胺酸2-戊酯?
The molecular formula of N-乙酰磺胺酸2-戊酯 is C13H19NO4S.
What is the molecular weight of N-乙酰磺胺酸2-戊酯?
The molecular weight of N-乙酰磺胺酸2-戊酯 is 285.10 g/mol.
Where can I buy N-乙酰磺胺酸2-戊酯?
You can request a quote for N-乙酰磺胺酸2-戊酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-乙酰磺胺酸2-戊酯?
Yes, KEHONG BIO provides custom synthesis services for N-乙酰磺胺酸2-戊酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.