ChemDiv3_003645
TL;DR: ChemDiv3_003645 (CAS 433239-82-8) is a chemical compound with molecular formula C25H37N3OS and molecular weight 427.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-1-[3-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]propyl]-3-(3-methylphenyl)thiourea
Also Known As: ChemDiv3_003645, IDI1_021555, AB00121841-01, BRD-K30424430-001-01-9, 1-cyclohexyl-1-[3-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]propyl]-3-(3-methylphenyl)thiourea
| Molecular Formula | C25H37N3OS |
|---|---|
| Molecular Weight | 427.27 g/mol |
| LogP | 5.57922 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.26575 |
| Heavy Atoms | 30 |
| Complexity | 780.35333 |
Chemical Identifiers
| CAS Number | 433239-82-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=S)N(CCCNC2=CC(=O)CC(C2)(C)C)C3CCCCC3 |
Product Overview
ChemDiv3_003645 (CAS 433239-82-8), with molecular formula C25H37N3OS and molecular weight 427.27 g/mol. IUPAC: 1-cyclohexyl-1-[3-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]propyl]-3-(3-methylphenyl)thiourea.
Chemical Property Profile of ChemDiv3_003645
Property Insights of ChemDiv3_003645
The XLogP value of 5.57922 indicates that ChemDiv3_003645 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.37 Ų, ChemDiv3_003645 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_003645 has 2 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 ChemDiv3_003645?
The CAS number of ChemDiv3_003645 is 433239-82-8.
What is the molecular formula of ChemDiv3_003645?
The molecular formula of ChemDiv3_003645 is C25H37N3OS.
What is the molecular weight of ChemDiv3_003645?
The molecular weight of ChemDiv3_003645 is 427.27 g/mol.
Where can I buy ChemDiv3_003645?
You can request a quote for ChemDiv3_003645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003645?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.