A3530/0149544
TL;DR: A3530/0149544 (CAS 587002-04-8) is a chemical compound with molecular formula C26H20N4O4S and molecular weight 484.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]carbamothioyl]-9H-xanthene-9-carboxamide
Also Known As: A3530/0149544, N-(2-(5-methyl-3-phenylisoxazole-4-carbonyl)hydrazinecarbonothioyl)-9H-xanthene-9-carboxamide, N-[[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]carbamothioyl]-9H-xanthene-9-carboxamide, N-({2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]hydrazinyl}carbonothioyl)-9H-xanthene-9-carboxamide, N~9~-({2-[(5-METHYL-3-PHENYL-4-ISOXAZOLYL)CARBONYL]HYDRAZINO}CARBOTHIOYL)-9H-XANTHENE-9-CARBOXAMIDE
| Molecular Formula | C26H20N4O4S |
|---|---|
| Molecular Weight | 484.12 g/mol |
| LogP | 4.22332 |
| Topological Polar Surface Area | 105.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 484.1205 |
| Heavy Atoms | 35 |
| Complexity | 1388.8097 |
Chemical Identifiers
| CAS Number | 587002-04-8 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NNC(=S)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35 |
Product Overview
A3530/0149544 (CAS 587002-04-8), with molecular formula C26H20N4O4S and molecular weight 484.12 g/mol. IUPAC: N-[[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]carbamothioyl]-9H-xanthene-9-carboxamide.
Chemical Property Profile of A3530/0149544
Property Insights of A3530/0149544
The XLogP value of 4.22332 indicates that A3530/0149544 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.49 Ų falls within the moderate polarity range, balancing permeability and solubility for A3530/0149544. Following Lipinski's Rule of Five, A3530/0149544 has 3 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 A3530/0149544?
The CAS number of A3530/0149544 is 587002-04-8.
What is the molecular formula of A3530/0149544?
The molecular formula of A3530/0149544 is C26H20N4O4S.
What is the molecular weight of A3530/0149544?
The molecular weight of A3530/0149544 is 484.12 g/mol.
Where can I buy A3530/0149544?
You can request a quote for A3530/0149544 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3530/0149544?
Yes, KEHONG BIO provides custom synthesis services for A3530/0149544 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.