A3530/0149532
TL;DR: A3530/0149532 (CAS 695205-74-4) is a chemical compound with molecular formula C20H16N4O5S and molecular weight 424.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1,3-benzodioxole-5-carbonylamino)carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
Also Known As: A3530/0149532, N-(2-(benzo[d][1,3]dioxole-5-carbonyl)hydrazinecarbonothioyl)-5-methyl-3-phenylisoxazole-4-carboxamide, N-[(1,3-benzodioxole-5-carbonylamino)carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide, N-{[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazino]carbonothioyl}-5-methyl-3-phenyl-4-isoxazolecarboxamide, N-{[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinyl]carbonothioyl}-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
| Molecular Formula | C20H16N4O5S |
|---|---|
| Molecular Weight | 424.08 g/mol |
| LogP | 2.32802 |
| Topological Polar Surface Area | 114.72 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.08414 |
| Heavy Atoms | 30 |
| Complexity | 1129.4805 |
Chemical Identifiers
| CAS Number | 695205-74-4 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NNC(=O)C3=CC4=C(C=C3)OCO4 |
Product Overview
A3530/0149532 (CAS 695205-74-4), with molecular formula C20H16N4O5S and molecular weight 424.08 g/mol. IUPAC: N-[(1,3-benzodioxole-5-carbonylamino)carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of A3530/0149532
Property Insights of A3530/0149532
The XLogP value of 2.32802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3530/0149532. The TPSA of 114.72 Ų falls within the moderate polarity range, balancing permeability and solubility for A3530/0149532. Following Lipinski's Rule of Five, A3530/0149532 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 A3530/0149532?
The CAS number of A3530/0149532 is 695205-74-4.
What is the molecular formula of A3530/0149532?
The molecular formula of A3530/0149532 is C20H16N4O5S.
What is the molecular weight of A3530/0149532?
The molecular weight of A3530/0149532 is 424.08 g/mol.
Where can I buy A3530/0149532?
You can request a quote for A3530/0149532 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3530/0149532?
Yes, KEHONG BIO provides custom synthesis services for A3530/0149532 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.