A2682/0114296
TL;DR: A2682/0114296 (CAS 5807-45-4) is a chemical compound with molecular formula C20H22N2O6S and molecular weight 418.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[2-(2-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: A2682/0114296, Propan-2-yl 2-[2-(2-nitrophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propan-2-yl 2-[[2-(2-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, PROPAN-2-YL 2-[[2-(2-NITROPHENOXY)ACETYL]AMINO]-4,5,6,7-TETRAHYDROBENZOTHIOPHENE-3-CARBOXYLATE, propan-2-yl 2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C20H22N2O6S |
|---|---|
| Molecular Weight | 418.12 g/mol |
| LogP | 4.1178 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.11984 |
| Heavy Atoms | 29 |
| Complexity | 937.0478 |
Chemical Identifiers
| CAS Number | 5807-45-4 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-] |
Product Overview
A2682/0114296 (CAS 5807-45-4), with molecular formula C20H22N2O6S and molecular weight 418.12 g/mol. IUPAC: propan-2-yl 2-[[2-(2-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of A2682/0114296
Property Insights of A2682/0114296
The XLogP value of 4.1178 indicates that A2682/0114296 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for A2682/0114296. Following Lipinski's Rule of Five, A2682/0114296 has 1 hydrogen bond donor(s) and 7 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 A2682/0114296?
The CAS number of A2682/0114296 is 5807-45-4.
What is the molecular formula of A2682/0114296?
The molecular formula of A2682/0114296 is C20H22N2O6S.
What is the molecular weight of A2682/0114296?
The molecular weight of A2682/0114296 is 418.12 g/mol.
Where can I buy A2682/0114296?
You can request a quote for A2682/0114296 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2682/0114296?
Yes, KEHONG BIO provides custom synthesis services for A2682/0114296 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.