A1849/0077800
TL;DR: A1849/0077800 (CAS 360770-00-9) is a chemical compound with molecular formula C23H22N2O5S and molecular weight 438.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyloxy-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanylmethyl]-1-benzofuran-3-carboxylate
Also Known As: A1849/0077800, ethyl 5-(acetyloxy)-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-1-benzofuran-3-carboxylate, Ethyl 5-(acetyloxy)-2-[[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]methyl]-3-benzofurancarboxylate, ETHYL 5-(ACETYLOXY)-2-{[(3-CYANO-4,5,6-TRIMETHYL-2-PYRIDYL)SULFANYL]METHYL}-1-BENZOFURAN-3-CARBOXYLATE, ethyl 5-acetyloxy-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylmethyl]-1-benzofuran-3-carboxylate
| Molecular Formula | C23H22N2O5S |
|---|---|
| Molecular Weight | 438.12 g/mol |
| LogP | 5.01904 |
| Topological Polar Surface Area | 102.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.12494 |
| Heavy Atoms | 31 |
| Complexity | 1223.1555 |
Chemical Identifiers
| CAS Number | 360770-00-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C)CSC3=C(C(=C(C(=N3)C)C)C)C#N |
Product Overview
A1849/0077800 (CAS 360770-00-9), with molecular formula C23H22N2O5S and molecular weight 438.12 g/mol. IUPAC: ethyl 5-acetyloxy-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanylmethyl]-1-benzofuran-3-carboxylate.
Chemical Property Profile of A1849/0077800
Property Insights of A1849/0077800
The XLogP value of 5.01904 indicates that A1849/0077800 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.42 Ų falls within the moderate polarity range, balancing permeability and solubility for A1849/0077800. Following Lipinski's Rule of Five, A1849/0077800 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1849/0077800?
The CAS number of A1849/0077800 is 360770-00-9.
What is the molecular formula of A1849/0077800?
The molecular formula of A1849/0077800 is C23H22N2O5S.
What is the molecular weight of A1849/0077800?
The molecular weight of A1849/0077800 is 438.12 g/mol.
Where can I buy A1849/0077800?
You can request a quote for A1849/0077800 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1849/0077800?
Yes, KEHONG BIO provides custom synthesis services for A1849/0077800 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.