ChemDiv1_005991
TL;DR: ChemDiv1_005991 (CAS 420832-20-8) is a chemical compound with molecular formula C19H17ClN2O8S and molecular weight 468.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 5-[(2-chloro-5-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
Also Known As: ChemDiv1_005991, BAS 02105358, AB00285306-02, 2-methoxyethyl 5-(2-chloro-5-nitrophenylsulfonamido)-2-methylbenzofuran-3-carboxylate, F0808-0189
| Molecular Formula | C19H17ClN2O8S |
|---|---|
| Molecular Weight | 468.04 g/mol |
| LogP | 3.90682 |
| Topological Polar Surface Area | 137.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.03943 |
| Heavy Atoms | 31 |
| Complexity | 1269.3936 |
Chemical Identifiers
| CAS Number | 420832-20-8 |
|---|---|
| SMILES | CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(=O)OCCOC |
Product Overview
ChemDiv1_005991 (CAS 420832-20-8), with molecular formula C19H17ClN2O8S and molecular weight 468.04 g/mol. IUPAC: 2-methoxyethyl 5-[(2-chloro-5-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of ChemDiv1_005991
Property Insights of ChemDiv1_005991
The XLogP value of 3.90682 indicates that ChemDiv1_005991 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005991. Following Lipinski's Rule of Five, ChemDiv1_005991 has 1 hydrogen bond donor(s) and 8 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 ChemDiv1_005991?
The CAS number of ChemDiv1_005991 is 420832-20-8.
What is the molecular formula of ChemDiv1_005991?
The molecular formula of ChemDiv1_005991 is C19H17ClN2O8S.
What is the molecular weight of ChemDiv1_005991?
The molecular weight of ChemDiv1_005991 is 468.04 g/mol.
Where can I buy ChemDiv1_005991?
You can request a quote for ChemDiv1_005991 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005991?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005991 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.