ChemDiv3_004541
TL;DR: ChemDiv3_004541 (CAS 1164475-21-1) is a chemical compound with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[(2-hydroxy-3-nitrosoindol-1-yl)methyl]furan-2-carboxylate
Also Known As: ChemDiv3_004541, IDI1_022451, BRD-K95073410-001-01-0, (Z)-methyl 5-((3-(hydroxyimino)-2-oxoindolin-1-yl)methyl)furan-2-carboxylate, methyl 5-{[(3Z)-3-(hydroxyimino)-2-oxo-2,3-dihydro-1H-indol-1-yl]methyl}furan-2-carboxylate
| Molecular Formula | C15H12N2O5 |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 94.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.07462 |
| Heavy Atoms | 22 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 1164475-21-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(O1)CN2C3=CC=CC=C3C(=C2O)N=O |
| InChIKey | FDIJDZRTSVQRSL-UHFFFAOYSA-N |
Product Overview
ChemDiv3_004541 (CAS 1164475-21-1), with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol. IUPAC: methyl 5-[(2-hydroxy-3-nitrosoindol-1-yl)methyl]furan-2-carboxylate.
Chemical Property Profile of ChemDiv3_004541
Property Insights of ChemDiv3_004541
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004541. The TPSA of 94.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004541. Following Lipinski's Rule of Five, ChemDiv3_004541 has 1 hydrogen bond donor(s) and 6 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 ChemDiv3_004541?
The CAS number of ChemDiv3_004541 is 1164475-21-1.
What is the molecular formula of ChemDiv3_004541?
The molecular formula of ChemDiv3_004541 is C15H12N2O5.
What is the molecular weight of ChemDiv3_004541?
The molecular weight of ChemDiv3_004541 is 300.07 g/mol.
Where can I buy ChemDiv3_004541?
You can request a quote for ChemDiv3_004541 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004541?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004541 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.