![2-[(Propoxycarbonyl)amino]ethyl benzenesulfonate structure](/static/products/851/85136-73-8.png)
2-[(Propoxycarbonyl)amino]ethyl benzenesulfonate
TL;DR: 2-[(Propoxycarbonyl)amino]ethyl benzenesulfonate (CAS 85136-73-8) is a chemical compound with molecular formula C12H17NO5S and molecular weight 287.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(propoxycarbonylamino)ethyl benzenesulfonate
Also Known As: NCIOpen2_002154, 2-[(propoxycarbonyl)amino]ethyl benzenesulfonate, 2-(propoxycarbonylamino)ethyl benzenesulfonate
| Molecular Formula | C12H17NO5S |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 90.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 287.08273 |
| Heavy Atoms | 19 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 85136-73-8 |
|---|---|
| SMILES | CCCOC(=O)NCCOS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | WNWRHLHUEOLIDK-UHFFFAOYSA-N |
Product Overview
2-[(Propoxycarbonyl)amino]ethyl benzenesulfonate (CAS 85136-73-8), with molecular formula C12H17NO5S and molecular weight 287.08 g/mol. IUPAC: 2-(propoxycarbonylamino)ethyl benzenesulfonate.
Chemical Property Profile of 2-[(Propoxycarbonyl)amino]ethyl benzenesulfonate
Property Insights of 2-[(Propoxycarbonyl)amino]ethyl benzenesulfonate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Propoxycarbonyl)amino]ethyl benzenesulfonate. The TPSA of 90.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Propoxycarbonyl)amino]ethyl benzenesulfonate. Following Lipinski's Rule of Five, 2-[(Propoxycarbonyl)amino]ethyl benzenesulfonate 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 2-[(Propoxycarbonyl)amino]ethyl benzenesulfonate?
The CAS number of 2-[(Propoxycarbonyl)amino]ethyl benzenesulfonate is 85136-73-8.
What is the molecular formula of 2-[(Propoxycarbonyl)amino]ethyl benzenesulfonate?
The molecular formula of 2-[(Propoxycarbonyl)amino]ethyl benzenesulfonate is C12H17NO5S.
What is the molecular weight of 2-[(Propoxycarbonyl)amino]ethyl benzenesulfonate?
The molecular weight of 2-[(Propoxycarbonyl)amino]ethyl benzenesulfonate is 287.08 g/mol.
Where can I buy 2-[(Propoxycarbonyl)amino]ethyl benzenesulfonate?
You can request a quote for 2-[(Propoxycarbonyl)amino]ethyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Propoxycarbonyl)amino]ethyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Propoxycarbonyl)amino]ethyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.