A3530/0149529
TL;DR: A3530/0149529 (CAS 695205-71-1) is a chemical compound with molecular formula C22H20N4O2S2 and molecular weight 436.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
Also Known As: A3530/0149529, N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide, N-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl)-5-methyl-3-phenylisoxazole-4-carboxamide, N-(3-CYANO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHEN-2-YL)-N'-[(5-METHYL-3-PHENYL-4-ISOXAZOLYL)CARBONYL]THIOUREA
| Molecular Formula | C22H20N4O2S2 |
|---|---|
| Molecular Weight | 436.10 g/mol |
| LogP | 4.9789 |
| Topological Polar Surface Area | 90.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 436.10278 |
| Heavy Atoms | 30 |
| Complexity | 1142.0919 |
Chemical Identifiers
| CAS Number | 695205-71-1 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NC3=C(C4=C(S3)CCCCC4)C#N |
Product Overview
A3530/0149529 (CAS 695205-71-1), with molecular formula C22H20N4O2S2 and molecular weight 436.10 g/mol. IUPAC: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of A3530/0149529
Property Insights of A3530/0149529
The XLogP value of 4.9789 indicates that A3530/0149529 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.95 Ų falls within the moderate polarity range, balancing permeability and solubility for A3530/0149529. Following Lipinski's Rule of Five, A3530/0149529 has 2 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 A3530/0149529?
The CAS number of A3530/0149529 is 695205-71-1.
What is the molecular formula of A3530/0149529?
The molecular formula of A3530/0149529 is C22H20N4O2S2.
What is the molecular weight of A3530/0149529?
The molecular weight of A3530/0149529 is 436.10 g/mol.
Where can I buy A3530/0149529?
You can request a quote for A3530/0149529 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3530/0149529?
Yes, KEHONG BIO provides custom synthesis services for A3530/0149529 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.