A3530/0149538
TL;DR: A3530/0149538 (CAS 695205-79-9) is a chemical compound with molecular formula C21H20N4O5S and molecular weight 440.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethoxy-N-[[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]carbamothioyl]benzamide
Also Known As: A3530/0149538, 3,4-dimethoxy-N-({2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]hydrazinyl}carbonothioyl)benzamide, 3,4-dimethoxy-N-(2-(5-methyl-3-phenylisoxazole-4-carbonyl)hydrazinecarbonothioyl)benzamide, 3,4-dimethoxy-N-[[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]carbamothioyl]benzamide, 3,4-Dimethoxy-N-[N'-(5-methyl-3-phenyl-isoxazole-4-carbonyl)-hydrazinocarbothioyl]-benzamide
| Molecular Formula | C21H20N4O5S |
|---|---|
| Molecular Weight | 440.12 g/mol |
| LogP | 2.61652 |
| Topological Polar Surface Area | 114.72 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.11545 |
| Heavy Atoms | 31 |
| Complexity | 1114.2128 |
Chemical Identifiers
| CAS Number | 695205-79-9 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NNC(=S)NC(=O)C3=CC(=C(C=C3)OC)OC |
Product Overview
A3530/0149538 (CAS 695205-79-9), with molecular formula C21H20N4O5S and molecular weight 440.12 g/mol. IUPAC: 3,4-dimethoxy-N-[[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]carbamothioyl]benzamide.
Chemical Property Profile of A3530/0149538
Property Insights of A3530/0149538
The XLogP value of 2.61652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3530/0149538. The TPSA of 114.72 Ų falls within the moderate polarity range, balancing permeability and solubility for A3530/0149538. Following Lipinski's Rule of Five, A3530/0149538 has 3 hydrogen bond donor(s) and 7 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 A3530/0149538?
The CAS number of A3530/0149538 is 695205-79-9.
What is the molecular formula of A3530/0149538?
The molecular formula of A3530/0149538 is C21H20N4O5S.
What is the molecular weight of A3530/0149538?
The molecular weight of A3530/0149538 is 440.12 g/mol.
Where can I buy A3530/0149538?
You can request a quote for A3530/0149538 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3530/0149538?
Yes, KEHONG BIO provides custom synthesis services for A3530/0149538 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.