![ethyl (S)-2-(3-((tert-butoxycarbonyl)amino)-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetate structure](/static/products/2096/209683-27-2.webp)
ethyl (S)-2-(3-((tert-butoxycarbonyl)amino)-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetate
TL;DR: ethyl (S)-2-(3-((tert-butoxycarbonyl)amino)-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetate (CAS 209683-27-2) is a chemical compound with molecular formula C18H24N2O5S and molecular weight 380.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate
Also Known As: ethyl (S)-2-(3-((tert-butoxycarbonyl)amino)-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetate, ethyl 2-[(3S)-3-{[(tert-butoxy)carbonyl]amino}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetate, ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate
| Molecular Formula | C18H24N2O5S |
|---|---|
| Molecular Weight | 380.14 g/mol |
| LogP | 2.5817 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.1406 |
| Heavy Atoms | 26 |
| Complexity | 686.4042 |
Chemical Identifiers
| CAS Number | 209683-27-2 |
|---|---|
| SMILES | CCOC(=O)CN1C2=CC=CC=C2SCC(C1=O)NC(=O)OC(C)(C)C |
Product Overview
ethyl (S)-2-(3-((tert-butoxycarbonyl)amino)-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetate (CAS 209683-27-2), with molecular formula C18H24N2O5S and molecular weight 380.14 g/mol. IUPAC: ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate.
Chemical Property Profile of ethyl (S)-2-(3-((tert-butoxycarbonyl)amino)-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetate
Property Insights of ethyl (S)-2-(3-((tert-butoxycarbonyl)amino)-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetate
The XLogP value of 2.5817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (S)-2-(3-((tert-butoxycarbonyl)amino)-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetate. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (S)-2-(3-((tert-butoxycarbonyl)amino)-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetate. Following Lipinski's Rule of Five, ethyl (S)-2-(3-((tert-butoxycarbonyl)amino)-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetate has 1 hydrogen bond donor(s) and 6 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 (S)-2-(3-((tert-butoxycarbonyl)amino)-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetate?
The CAS number of ethyl (S)-2-(3-((tert-butoxycarbonyl)amino)-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetate is 209683-27-2.
What is the molecular formula of ethyl (S)-2-(3-((tert-butoxycarbonyl)amino)-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetate?
The molecular formula of ethyl (S)-2-(3-((tert-butoxycarbonyl)amino)-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetate is C18H24N2O5S.
What is the molecular weight of ethyl (S)-2-(3-((tert-butoxycarbonyl)amino)-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetate?
The molecular weight of ethyl (S)-2-(3-((tert-butoxycarbonyl)amino)-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetate is 380.14 g/mol.
Where can I buy ethyl (S)-2-(3-((tert-butoxycarbonyl)amino)-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetate?
You can request a quote for ethyl (S)-2-(3-((tert-butoxycarbonyl)amino)-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (S)-2-(3-((tert-butoxycarbonyl)amino)-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (S)-2-(3-((tert-butoxycarbonyl)amino)-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.