A3530/0149539
TL;DR: A3530/0149539 (CAS 695205-80-2) is a chemical compound with molecular formula C22H22N4O4S and molecular weight 438.14 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]-4-propoxybenzamide
Also Known As: A3530/0149539, N-(2-(5-methyl-3-phenylisoxazole-4-carbonyl)hydrazinecarbonothioyl)-4-propoxybenzamide, N-[[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]carbamothioyl]-4-propoxybenzamide, N-[N'-(5-Methyl-3-phenyl-isoxazole-4-carbonyl)-hydrazinocarbothioyl]-4-propoxy-benzamide, N-({2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]hydrazinyl}carbonothioyl)-4-propoxybenzamide
| Molecular Formula | C22H22N4O4S |
|---|---|
| Molecular Weight | 438.14 g/mol |
| LogP | 3.38812 |
| Topological Polar Surface Area | 105.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.13617 |
| Heavy Atoms | 31 |
| Complexity | 1064.8748 |
Chemical Identifiers
| CAS Number | 695205-80-2 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=C(ON=C2C3=CC=CC=C3)C |
Product Overview
A3530/0149539 (CAS 695205-80-2), with molecular formula C22H22N4O4S and molecular weight 438.14 g/mol. IUPAC: N-[[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]carbamothioyl]-4-propoxybenzamide.
Chemical Property Profile of A3530/0149539
Property Insights of A3530/0149539
The XLogP value of 3.38812 indicates that A3530/0149539 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 A3530/0149539. Following Lipinski's Rule of Five, A3530/0149539 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 A3530/0149539?
The CAS number of A3530/0149539 is 695205-80-2.
What is the molecular formula of A3530/0149539?
The molecular formula of A3530/0149539 is C22H22N4O4S.
What is the molecular weight of A3530/0149539?
The molecular weight of A3530/0149539 is 438.14 g/mol.
Where can I buy A3530/0149539?
You can request a quote for A3530/0149539 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3530/0149539?
Yes, KEHONG BIO provides custom synthesis services for A3530/0149539 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.