BIM-0042408.P001
TL;DR: BIM-0042408.P001 (CAS 5773-96-6) is a chemical compound with molecular formula C21H20N4O4S and molecular weight 424.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[(E)-N'-[(E)-1-(4-methylphenyl)ethylideneamino]carbamimidoyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid
Also Known As: BIM-0042408.P001, AB00096487-01, 4-[3-[(E)-N'-[(E)-1-(4-methylphenyl)ethylideneamino]carbamimidoyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid, 4-{3-[(imino{2-[1-(4-methylphenyl)ethylidene]hydrazino}methyl)thio]-2,5-dioxo-1-pyrrolidinyl}benzoic acid, 4-(3-{[(E)-Amino{(2E)-[1-(4-methylphenyl)ethylidene]hydrazinylidene}methyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
| Molecular Formula | C21H20N4O4S |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 2.79722 |
| Topological Polar Surface Area | 125.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.1205 |
| Heavy Atoms | 30 |
| Complexity | 1045.681 |
Chemical Identifiers
| CAS Number | 5773-96-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=N/N=C(\N)/SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O)/C |
Product Overview
BIM-0042408.P001 (CAS 5773-96-6), with molecular formula C21H20N4O4S and molecular weight 424.12 g/mol. IUPAC: 4-[3-[(E)-N'-[(E)-1-(4-methylphenyl)ethylideneamino]carbamimidoyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid.
Chemical Property Profile of BIM-0042408.P001
Property Insights of BIM-0042408.P001
The XLogP value of 2.79722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0042408.P001. The TPSA of 125.42 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0042408.P001. Following Lipinski's Rule of Five, BIM-0042408.P001 has 2 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 BIM-0042408.P001?
The CAS number of BIM-0042408.P001 is 5773-96-6.
What is the molecular formula of BIM-0042408.P001?
The molecular formula of BIM-0042408.P001 is C21H20N4O4S.
What is the molecular weight of BIM-0042408.P001?
The molecular weight of BIM-0042408.P001 is 424.12 g/mol.
Where can I buy BIM-0042408.P001?
You can request a quote for BIM-0042408.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0042408.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0042408.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.