![N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide structure](/static/products/4452/445237-89-8.webp)
N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide
TL;DR: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide (CAS 445237-89-8) is a chemical compound with molecular formula C30H28N4O2S2 and molecular weight 540.17 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]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide
Also Known As: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide, N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-[3-(propan-2-yloxy)phenyl]quinoline-4-carboxamide, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-N'-{[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}thiourea, N-(3-CYANO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHEN-2-YL)-N'-{[2-(3-ISOPROPOXYPHENYL)-4-QUINOLYL]CARBONYL}THIOUREA
| Molecular Formula | C30H28N4O2S2 |
|---|---|
| Molecular Weight | 540.17 g/mol |
| LogP | 7.01788 |
| Topological Polar Surface Area | 87.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 540.16534 |
| Heavy Atoms | 38 |
| Complexity | 1568.513 |
Chemical Identifiers
| CAS Number | 445237-89-8 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=C(C5=C(S4)CCCCC5)C#N |
Product Overview
N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide (CAS 445237-89-8), with molecular formula C30H28N4O2S2 and molecular weight 540.17 g/mol. IUPAC: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide.
Chemical Property Profile of N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide
Property Insights of N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide
The XLogP value of 7.01788 indicates that N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.04 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide. Following Lipinski's Rule of Five, N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide?
The CAS number of N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide is 445237-89-8.
What is the molecular formula of N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide?
The molecular formula of N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide is C30H28N4O2S2.
What is the molecular weight of N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide?
The molecular weight of N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide is 540.17 g/mol.
Where can I buy N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide?
You can request a quote for N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.