A3530/0149524
TL;DR: A3530/0149524 (CAS 695205-66-4) is a chemical compound with molecular formula C19H18N6O4S2 and molecular weight 458.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
Also Known As: A3530/0149524, N-((4-(N-carbamimidoylsulfamoyl)phenyl)carbamothioyl)-5-methyl-3-phenylisoxazole-4-carboxamide, N-({[4-({[amino(imino)methyl]amino}sulfonyl)phenyl]amino}carbonothioyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide, N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide, N-{[4-(carbamimidoylsulfamoyl)phenyl]carbamothioyl}-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
| Molecular Formula | C19H18N6O4S2 |
|---|---|
| Molecular Weight | 458.08 g/mol |
| LogP | 1.73892 |
| Topological Polar Surface Area | 165.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.0831 |
| Heavy Atoms | 31 |
| Complexity | 1248.3099 |
Chemical Identifiers
| CAS Number | 695205-66-4 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N=C(N)N |
Product Overview
A3530/0149524 (CAS 695205-66-4), with molecular formula C19H18N6O4S2 and molecular weight 458.08 g/mol. IUPAC: N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of A3530/0149524
Property Insights of A3530/0149524
The XLogP value of 1.73892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3530/0149524. The TPSA of 165.7 Ų indicates high polarity, suggesting A3530/0149524 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A3530/0149524 has 4 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 A3530/0149524?
The CAS number of A3530/0149524 is 695205-66-4.
What is the molecular formula of A3530/0149524?
The molecular formula of A3530/0149524 is C19H18N6O4S2.
What is the molecular weight of A3530/0149524?
The molecular weight of A3530/0149524 is 458.08 g/mol.
Where can I buy A3530/0149524?
You can request a quote for A3530/0149524 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3530/0149524?
Yes, KEHONG BIO provides custom synthesis services for A3530/0149524 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.