A1806/0076306
TL;DR: A1806/0076306 (CAS 304666-44-2) is a chemical compound with molecular formula C18H17ClN2O4S and molecular weight 392.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: A1806/0076306, ethyl 2-({2-chloro-5-nitrobenzylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[(2-chloro-5-nitrobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-[(E)-[(2-CHLORO-5-NITROPHENYL)METHYLIDENE]AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C18H17ClN2O4S |
|---|---|
| Molecular Weight | 392.06 g/mol |
| LogP | 5.1158 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.05975 |
| Heavy Atoms | 26 |
| Complexity | 891.5565 |
Chemical Identifiers
| CAS Number | 304666-44-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl |
Product Overview
A1806/0076306 (CAS 304666-44-2), with molecular formula C18H17ClN2O4S and molecular weight 392.06 g/mol. IUPAC: ethyl 2-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of A1806/0076306
Property Insights of A1806/0076306
The XLogP value of 5.1158 indicates that A1806/0076306 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for A1806/0076306. Following Lipinski's Rule of Five, A1806/0076306 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1806/0076306?
The CAS number of A1806/0076306 is 304666-44-2.
What is the molecular formula of A1806/0076306?
The molecular formula of A1806/0076306 is C18H17ClN2O4S.
What is the molecular weight of A1806/0076306?
The molecular weight of A1806/0076306 is 392.06 g/mol.
Where can I buy A1806/0076306?
You can request a quote for A1806/0076306 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1806/0076306?
Yes, KEHONG BIO provides custom synthesis services for A1806/0076306 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.