N-(3-butoxybenzoyl)-N'-(3-chloro-4-methoxyphenyl)thiourea
TL;DR: N-(3-butoxybenzoyl)-N'-(3-chloro-4-methoxyphenyl)thiourea (CAS 445427-91-8) is a chemical compound with molecular formula C19H21ClN2O3S and molecular weight 392.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butoxy-N-[(3-chloro-4-methoxyphenyl)carbamothioyl]benzamide
Also Known As: N-(3-butoxybenzoyl)-N'-(3-chloro-4-methoxyphenyl)thiourea, 3-butoxy-N-[(3-chloro-4-methoxyphenyl)carbamothioyl]benzamide, AN-648/40682890
| Molecular Formula | C19H21ClN2O3S |
|---|---|
| Molecular Weight | 392.10 g/mol |
| LogP | 4.6543 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 392.09613 |
| Heavy Atoms | 26 |
| Complexity | 783.1296 |
Chemical Identifiers
| CAS Number | 445427-91-8 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)OC)Cl |
Product Overview
N-(3-butoxybenzoyl)-N'-(3-chloro-4-methoxyphenyl)thiourea (CAS 445427-91-8), with molecular formula C19H21ClN2O3S and molecular weight 392.10 g/mol. IUPAC: 3-butoxy-N-[(3-chloro-4-methoxyphenyl)carbamothioyl]benzamide.
Chemical Property Profile of N-(3-butoxybenzoyl)-N'-(3-chloro-4-methoxyphenyl)thiourea
Property Insights of N-(3-butoxybenzoyl)-N'-(3-chloro-4-methoxyphenyl)thiourea
The XLogP value of 4.6543 indicates that N-(3-butoxybenzoyl)-N'-(3-chloro-4-methoxyphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, N-(3-butoxybenzoyl)-N'-(3-chloro-4-methoxyphenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-butoxybenzoyl)-N'-(3-chloro-4-methoxyphenyl)thiourea has 2 hydrogen bond donor(s) and 4 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 N-(3-butoxybenzoyl)-N'-(3-chloro-4-methoxyphenyl)thiourea?
The CAS number of N-(3-butoxybenzoyl)-N'-(3-chloro-4-methoxyphenyl)thiourea is 445427-91-8.
What is the molecular formula of N-(3-butoxybenzoyl)-N'-(3-chloro-4-methoxyphenyl)thiourea?
The molecular formula of N-(3-butoxybenzoyl)-N'-(3-chloro-4-methoxyphenyl)thiourea is C19H21ClN2O3S.
What is the molecular weight of N-(3-butoxybenzoyl)-N'-(3-chloro-4-methoxyphenyl)thiourea?
The molecular weight of N-(3-butoxybenzoyl)-N'-(3-chloro-4-methoxyphenyl)thiourea is 392.10 g/mol.
Where can I buy N-(3-butoxybenzoyl)-N'-(3-chloro-4-methoxyphenyl)thiourea?
You can request a quote for N-(3-butoxybenzoyl)-N'-(3-chloro-4-methoxyphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-butoxybenzoyl)-N'-(3-chloro-4-methoxyphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(3-butoxybenzoyl)-N'-(3-chloro-4-methoxyphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.