2-(benzylamino)-4-(4-methoxyphenyl)-6-oxo-N-phenylcyclohexene-1-carbothioamide
TL;DR: 2-(benzylamino)-4-(4-methoxyphenyl)-6-oxo-N-phenylcyclohexene-1-carbothioamide (CAS 577997-29-6) is a chemical compound with molecular formula C27H26N2O2S and molecular weight 442.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)-4-(4-methoxyphenyl)-6-oxo-N-phenylcyclohexene-1-carbothioamide
Also Known As: 2-(benzylamino)-4-(4-methoxyphenyl)-6-oxo-N-phenylcyclohexene-1-carbothioamide, 2-(benzylamino)-4-(4-methoxyphenyl)-6-oxo-N-phenyl-cyclohexene-1-carbothioamide, 2-(benzylamino)-4-(4-methoxyphenyl)-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide, 5-(benzylamino)-4'-methoxy-3-oxo-N-phenyl-1,2,3,6-tetrahydro-[1,1'-biphenyl]-4-carbothioamide
| Molecular Formula | C27H26N2O2S |
|---|---|
| Molecular Weight | 442.17 g/mol |
| LogP | 5.6251 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.1715 |
| Heavy Atoms | 32 |
| Complexity | 1109.4128 |
Chemical Identifiers
| CAS Number | 577997-29-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=C(C(=O)C2)C(=S)NC3=CC=CC=C3)NCC4=CC=CC=C4 |
Product Overview
2-(benzylamino)-4-(4-methoxyphenyl)-6-oxo-N-phenylcyclohexene-1-carbothioamide (CAS 577997-29-6), with molecular formula C27H26N2O2S and molecular weight 442.17 g/mol. IUPAC: 2-(benzylamino)-4-(4-methoxyphenyl)-6-oxo-N-phenylcyclohexene-1-carbothioamide.
Chemical Property Profile of 2-(benzylamino)-4-(4-methoxyphenyl)-6-oxo-N-phenylcyclohexene-1-carbothioamide
Property Insights of 2-(benzylamino)-4-(4-methoxyphenyl)-6-oxo-N-phenylcyclohexene-1-carbothioamide
The XLogP value of 5.6251 indicates that 2-(benzylamino)-4-(4-methoxyphenyl)-6-oxo-N-phenylcyclohexene-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, 2-(benzylamino)-4-(4-methoxyphenyl)-6-oxo-N-phenylcyclohexene-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(benzylamino)-4-(4-methoxyphenyl)-6-oxo-N-phenylcyclohexene-1-carbothioamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(benzylamino)-4-(4-methoxyphenyl)-6-oxo-N-phenylcyclohexene-1-carbothioamide?
The CAS number of 2-(benzylamino)-4-(4-methoxyphenyl)-6-oxo-N-phenylcyclohexene-1-carbothioamide is 577997-29-6.
What is the molecular formula of 2-(benzylamino)-4-(4-methoxyphenyl)-6-oxo-N-phenylcyclohexene-1-carbothioamide?
The molecular formula of 2-(benzylamino)-4-(4-methoxyphenyl)-6-oxo-N-phenylcyclohexene-1-carbothioamide is C27H26N2O2S.
What is the molecular weight of 2-(benzylamino)-4-(4-methoxyphenyl)-6-oxo-N-phenylcyclohexene-1-carbothioamide?
The molecular weight of 2-(benzylamino)-4-(4-methoxyphenyl)-6-oxo-N-phenylcyclohexene-1-carbothioamide is 442.17 g/mol.
Where can I buy 2-(benzylamino)-4-(4-methoxyphenyl)-6-oxo-N-phenylcyclohexene-1-carbothioamide?
You can request a quote for 2-(benzylamino)-4-(4-methoxyphenyl)-6-oxo-N-phenylcyclohexene-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylamino)-4-(4-methoxyphenyl)-6-oxo-N-phenylcyclohexene-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylamino)-4-(4-methoxyphenyl)-6-oxo-N-phenylcyclohexene-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.