2-(benzylamino)-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide
TL;DR: 2-(benzylamino)-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide (CAS 41609-06-7) is a chemical compound with molecular formula C22H24N2OS and molecular weight 364.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)-4,4-dimethyl-6-oxo-N-phenylcyclohexene-1-carbothioamide
Also Known As: ChemDiv3_003067, starbld0049752, 2-(benzylamino)-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide, CX 4338, UPCMLD0ENAT0513-4338:001
| Molecular Formula | C22H24N2OS |
|---|---|
| Molecular Weight | 364.16 g/mol |
| LogP | 4.8589 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.16095 |
| Heavy Atoms | 26 |
| Complexity | 825.7355 |
Chemical Identifiers
| CAS Number | 41609-06-7 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=CC=C2)NCC3=CC=CC=C3)C |
Product Overview
2-(benzylamino)-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide (CAS 41609-06-7), with molecular formula C22H24N2OS and molecular weight 364.16 g/mol. IUPAC: 2-(benzylamino)-4,4-dimethyl-6-oxo-N-phenylcyclohexene-1-carbothioamide.
Chemical Property Profile of 2-(benzylamino)-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide
Property Insights of 2-(benzylamino)-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide
The XLogP value of 4.8589 indicates that 2-(benzylamino)-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, 2-(benzylamino)-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(benzylamino)-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide has 2 hydrogen bond donor(s) and 3 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 2-(benzylamino)-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide?
The CAS number of 2-(benzylamino)-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide is 41609-06-7.
What is the molecular formula of 2-(benzylamino)-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide?
The molecular formula of 2-(benzylamino)-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide is C22H24N2OS.
What is the molecular weight of 2-(benzylamino)-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide?
The molecular weight of 2-(benzylamino)-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide is 364.16 g/mol.
Where can I buy 2-(benzylamino)-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide?
You can request a quote for 2-(benzylamino)-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-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-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylamino)-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.