![N-(4-methylphenyl)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide structure](/static/products/2986/298683-99-5.webp)
N-(4-methylphenyl)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
TL;DR: N-(4-methylphenyl)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CAS 298683-99-5) is a chemical compound with molecular formula C22H21N3OS2 and molecular weight 407.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylphenyl)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
Also Known As: N-(4-methylphenyl)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide, N-(4-methylphenyl)-2-[(phenylcarbamothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
| Molecular Formula | C22H21N3OS2 |
|---|---|
| Molecular Weight | 407.11 g/mol |
| LogP | 5.60642 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.1126 |
| Heavy Atoms | 28 |
| Complexity | 1010.26605 |
Chemical Identifiers
| CAS Number | 298683-99-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=S)NC4=CC=CC=C4 |
Product Overview
N-(4-methylphenyl)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CAS 298683-99-5), with molecular formula C22H21N3OS2 and molecular weight 407.11 g/mol. IUPAC: N-(4-methylphenyl)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
Chemical Property Profile of N-(4-methylphenyl)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
Property Insights of N-(4-methylphenyl)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
The XLogP value of 5.60642 indicates that N-(4-methylphenyl)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, N-(4-methylphenyl)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-methylphenyl)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-methylphenyl)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The CAS number of N-(4-methylphenyl)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is 298683-99-5.
What is the molecular formula of N-(4-methylphenyl)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The molecular formula of N-(4-methylphenyl)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is C22H21N3OS2.
What is the molecular weight of N-(4-methylphenyl)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The molecular weight of N-(4-methylphenyl)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is 407.11 g/mol.
Where can I buy N-(4-methylphenyl)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
You can request a quote for N-(4-methylphenyl)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-methylphenyl)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methylphenyl)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.