A3530/0149536
TL;DR: A3530/0149536 (CAS 695205-77-7) is a chemical compound with molecular formula C19H15BrN4O3S and molecular weight 458.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]carbamothioyl]benzamide
Also Known As: A3530/0149536, 4-bromo-N-[[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]carbamothioyl]benzamide, 4-Bromo-N-[N'-(5-methyl-3-phenyl-isoxazole-4-carbonyl)-hydrazinocarbothioyl]-benzamide, 4-bromanyl-N-[[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]carbamothioyl]benzamide, 4-bromo-N-(2-(5-methyl-3-phenylisoxazole-4-carbonyl)hydrazinecarbonothioyl)benzamide
| Molecular Formula | C19H15BrN4O3S |
|---|---|
| Molecular Weight | 458.00 g/mol |
| LogP | 3.36182 |
| Topological Polar Surface Area | 96.26 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.00482 |
| Heavy Atoms | 28 |
| Complexity | 1019.41785 |
Chemical Identifiers
| CAS Number | 695205-77-7 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NNC(=S)NC(=O)C3=CC=C(C=C3)Br |
Product Overview
A3530/0149536 (CAS 695205-77-7), with molecular formula C19H15BrN4O3S and molecular weight 458.00 g/mol. IUPAC: 4-bromo-N-[[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]carbamothioyl]benzamide.
Chemical Property Profile of A3530/0149536
Property Insights of A3530/0149536
The XLogP value of 3.36182 indicates that A3530/0149536 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.26 Ų falls within the moderate polarity range, balancing permeability and solubility for A3530/0149536. Following Lipinski's Rule of Five, A3530/0149536 has 3 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 A3530/0149536?
The CAS number of A3530/0149536 is 695205-77-7.
What is the molecular formula of A3530/0149536?
The molecular formula of A3530/0149536 is C19H15BrN4O3S.
What is the molecular weight of A3530/0149536?
The molecular weight of A3530/0149536 is 458.00 g/mol.
Where can I buy A3530/0149536?
You can request a quote for A3530/0149536 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3530/0149536?
Yes, KEHONG BIO provides custom synthesis services for A3530/0149536 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.