BAS 00227358
TL;DR: BAS 00227358 (CAS 301320-80-9) is a chemical compound with molecular formula C22H17N5O4S and molecular weight 447.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2,5-dioxo-3-[(E)-N'-[(E)-quinolin-4-ylmethylideneamino]carbamimidoyl]sulfanylpyrrolidin-1-yl]benzoic acid
Also Known As: BAS 00227358, (E)-3-(3-((imino(2-(quinolin-4-ylmethylene)hydrazinyl)methyl)thio)-2,5-dioxopyrrolidin-1-yl)benzoic acid, 3-(3-{[((1E)-2-(4-quinolyl)-1-azavinyl)amino]iminomethylthio}-2,5-dioxoazolidi nyl)benzoic acid, 3-[3-({imino[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]methyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
| Molecular Formula | C22H17N5O4S |
|---|---|
| Molecular Weight | 447.10 g/mol |
| LogP | 2.6469 |
| Topological Polar Surface Area | 138.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.10013 |
| Heavy Atoms | 32 |
| Complexity | 1284.8112 |
Chemical Identifiers
| CAS Number | 301320-80-9 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)C2=CC=CC(=C2)C(=O)O)S/C(=N/N=C/C3=CC=NC4=CC=CC=C34)/N |
Product Overview
BAS 00227358 (CAS 301320-80-9), with molecular formula C22H17N5O4S and molecular weight 447.10 g/mol. IUPAC: 3-[2,5-dioxo-3-[(E)-N'-[(E)-quinolin-4-ylmethylideneamino]carbamimidoyl]sulfanylpyrrolidin-1-yl]benzoic acid.
Chemical Property Profile of BAS 00227358
Property Insights of BAS 00227358
The XLogP value of 2.6469 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00227358. The TPSA of 138.31 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00227358. Following Lipinski's Rule of Five, BAS 00227358 has 2 hydrogen bond donor(s) and 7 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 BAS 00227358?
The CAS number of BAS 00227358 is 301320-80-9.
What is the molecular formula of BAS 00227358?
The molecular formula of BAS 00227358 is C22H17N5O4S.
What is the molecular weight of BAS 00227358?
The molecular weight of BAS 00227358 is 447.10 g/mol.
Where can I buy BAS 00227358?
You can request a quote for BAS 00227358 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00227358?
Yes, KEHONG BIO provides custom synthesis services for BAS 00227358 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.