![4-butoxy-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide structure](/static/products/4284/428499-02-9.webp)
4-butoxy-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide
TL;DR: 4-butoxy-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide (CAS 428499-02-9) is a chemical compound with molecular formula C18H18ClIN2O2S and molecular weight 487.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butoxy-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide
Also Known As: N-(4-butoxybenzoyl)-N'-(2-chloro-4-iodophenyl)thiourea, 4-butoxy-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide
| Molecular Formula | C18H18ClIN2O2S |
|---|---|
| Molecular Weight | 487.98 g/mol |
| LogP | 5.2503 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 487.9822 |
| Heavy Atoms | 25 |
| Complexity | 753.24133 |
Chemical Identifiers
| CAS Number | 428499-02-9 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)Cl |
Product Overview
4-butoxy-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide (CAS 428499-02-9), with molecular formula C18H18ClIN2O2S and molecular weight 487.98 g/mol. IUPAC: 4-butoxy-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide.
Chemical Property Profile of 4-butoxy-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide
Property Insights of 4-butoxy-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide
The XLogP value of 5.2503 indicates that 4-butoxy-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, 4-butoxy-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-butoxy-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide 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 4-butoxy-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide?
The CAS number of 4-butoxy-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide is 428499-02-9.
What is the molecular formula of 4-butoxy-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide?
The molecular formula of 4-butoxy-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide is C18H18ClIN2O2S.
What is the molecular weight of 4-butoxy-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide?
The molecular weight of 4-butoxy-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide is 487.98 g/mol.
Where can I buy 4-butoxy-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide?
You can request a quote for 4-butoxy-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-butoxy-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-butoxy-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.