ChemDiv1_023050
TL;DR: ChemDiv1_023050 (CAS 397287-65-9) is a chemical compound with molecular formula C25H19BrN2O8S and molecular weight 586.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(4-bromophenyl)sulfonyl-(3-nitrobenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate
Also Known As: ChemDiv1_023050, ethyl 5-(N-((4-bromophenyl)sulfonyl)-3-nitrobenzamido)-2-methylbenzofuran-3-carboxylate, ETHYL 5-[N-(4-BROMOBENZENESULFONYL)3-NITROBENZAMIDO]-2-METHYL-1-BENZOFURAN-3-CARBOXYLATE, F0808-2402, ethyl 5-[(4-bromophenyl)sulfonyl-(3-nitrobenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate
| Molecular Formula | C25H19BrN2O8S |
|---|---|
| Molecular Weight | 586.00 g/mol |
| LogP | 5.62432 |
| Topological Polar Surface Area | 137.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 586.0046 |
| Heavy Atoms | 37 |
| Complexity | 1645.2317 |
Chemical Identifiers
| CAS Number | 397287-65-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)Br)C |
Product Overview
ChemDiv1_023050 (CAS 397287-65-9), with molecular formula C25H19BrN2O8S and molecular weight 586.00 g/mol. IUPAC: ethyl 5-[(4-bromophenyl)sulfonyl-(3-nitrobenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of ChemDiv1_023050
Property Insights of ChemDiv1_023050
The XLogP value of 5.62432 indicates that ChemDiv1_023050 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.03 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023050. Following Lipinski's Rule of Five, ChemDiv1_023050 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 ChemDiv1_023050?
The CAS number of ChemDiv1_023050 is 397287-65-9.
What is the molecular formula of ChemDiv1_023050?
The molecular formula of ChemDiv1_023050 is C25H19BrN2O8S.
What is the molecular weight of ChemDiv1_023050?
The molecular weight of ChemDiv1_023050 is 586.00 g/mol.
Where can I buy ChemDiv1_023050?
You can request a quote for ChemDiv1_023050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023050?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.