ChemDiv3_008110
TL;DR: ChemDiv3_008110 (CAS 687591-13-5) is a chemical compound with molecular formula C22H23N3O5S and molecular weight 441.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methoxyphenyl)methyl]-2-oxo-6-pyrrolidin-1-ylsulfonyl-1H-quinoline-4-carboxamide
Also Known As: ChemDiv3_008110, IDI1_026020, BRD-K26165369-001-01-9, N-[(4-METHOXYPHENYL)METHYL]-2-OXO-6-(PYRROLIDINE-1-SULFONYL)-1,2-DIHYDROQUINOLINE-4-CARBOXAMIDE, N-(4-methoxybenzyl)-2-oxo-6-(pyrrolidin-1-ylsulfonyl)-1,2-dihydroquinoline-4-carboxamide
| Molecular Formula | C22H23N3O5S |
|---|---|
| Molecular Weight | 441.14 g/mol |
| LogP | 2.2512 |
| Topological Polar Surface Area | 108.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.13583 |
| Heavy Atoms | 31 |
| Complexity | 1276.7394 |
Chemical Identifiers
| CAS Number | 687591-13-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC(=O)C2=CC(=O)NC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4 |
Product Overview
ChemDiv3_008110 (CAS 687591-13-5), with molecular formula C22H23N3O5S and molecular weight 441.14 g/mol. IUPAC: N-[(4-methoxyphenyl)methyl]-2-oxo-6-pyrrolidin-1-ylsulfonyl-1H-quinoline-4-carboxamide.
Chemical Property Profile of ChemDiv3_008110
Property Insights of ChemDiv3_008110
The XLogP value of 2.2512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_008110. The TPSA of 108.57 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_008110. Following Lipinski's Rule of Five, ChemDiv3_008110 has 2 hydrogen bond donor(s) and 5 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_008110?
The CAS number of ChemDiv3_008110 is 687591-13-5.
What is the molecular formula of ChemDiv3_008110?
The molecular formula of ChemDiv3_008110 is C22H23N3O5S.
What is the molecular weight of ChemDiv3_008110?
The molecular weight of ChemDiv3_008110 is 441.14 g/mol.
Where can I buy ChemDiv3_008110?
You can request a quote for ChemDiv3_008110 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_008110?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_008110 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.