BAS 00584011
TL;DR: BAS 00584011 (CAS 314038-43-2) is a chemical compound with molecular formula C28H23ClN4O4S and molecular weight 546.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carboximidoyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid
Also Known As: BAS 00584011, A1897/0079645, 4-(3-(((5-(4-chlorophenyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)(imino)methyl)thio)-2,5-dioxopyrrolidin-1-yl)benzoic acid, 4-(3-{[[5-(4-chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl](imino)methyl]sulfanyl}-2,5-dioxo-1-pyrrolidinyl)benzoic acid, 4-[3-({[5-(4-chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl](imino)methyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
| Molecular Formula | C28H23ClN4O4S |
|---|---|
| Molecular Weight | 546.11 g/mol |
| LogP | 5.49779 |
| Topological Polar Surface Area | 114.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 546.11285 |
| Heavy Atoms | 38 |
| Complexity | 1455.6788 |
Chemical Identifiers
| CAS Number | 314038-43-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C(=N)SC4CC(=O)N(C4=O)C5=CC=C(C=C5)C(=O)O |
Product Overview
BAS 00584011 (CAS 314038-43-2), with molecular formula C28H23ClN4O4S and molecular weight 546.11 g/mol. IUPAC: 4-[3-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carboximidoyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid.
Chemical Property Profile of BAS 00584011
Property Insights of BAS 00584011
The XLogP value of 5.49779 indicates that BAS 00584011 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.13 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00584011. Following Lipinski's Rule of Five, BAS 00584011 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00584011?
The CAS number of BAS 00584011 is 314038-43-2.
What is the molecular formula of BAS 00584011?
The molecular formula of BAS 00584011 is C28H23ClN4O4S.
What is the molecular weight of BAS 00584011?
The molecular weight of BAS 00584011 is 546.11 g/mol.
Where can I buy BAS 00584011?
You can request a quote for BAS 00584011 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00584011?
Yes, KEHONG BIO provides custom synthesis services for BAS 00584011 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.