Ethametsulfuron
TL;DR: Ethametsulfuron (CAS 2940940-14-5) is a chemical compound with molecular formula C16H20N2O5S and molecular weight 352.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid
Also Known As: Ethametsulfuron, 2-[3-(tert-butoxycarbonylamino)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid, (R)-3-BOC-AMINO-5-(CARBONYLMETHYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE, (R)-Boc-3-amino-5-carboxymethyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one, (S)-2-(3-((tert-Butoxycarbonyl)amino)-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetic acid
| Molecular Formula | C16H20N2O5S |
|---|---|
| Molecular Weight | 352.11 g/mol |
| LogP | 2.1032 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.10928 |
| Heavy Atoms | 24 |
| Complexity | 656.11304 |
Chemical Identifiers
| CAS Number | 2940940-14-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1CSC2=CC=CC=C2N(C1=O)CC(=O)O |
Product Overview
Ethametsulfuron (CAS 2940940-14-5), with molecular formula C16H20N2O5S and molecular weight 352.11 g/mol. IUPAC: 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid.
Chemical Property Profile of Ethametsulfuron
Property Insights of Ethametsulfuron
The XLogP value of 2.1032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethametsulfuron. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethametsulfuron. Following Lipinski's Rule of Five, Ethametsulfuron has 2 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 Ethametsulfuron?
The CAS number of Ethametsulfuron is 2940940-14-5.
What is the molecular formula of Ethametsulfuron?
The molecular formula of Ethametsulfuron is C16H20N2O5S.
What is the molecular weight of Ethametsulfuron?
The molecular weight of Ethametsulfuron is 352.11 g/mol.
Where can I buy Ethametsulfuron?
You can request a quote for Ethametsulfuron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethametsulfuron?
Yes, KEHONG BIO provides custom synthesis services for Ethametsulfuron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.