N-(3-chloro-4-methoxybenzyl)-N'-phenylthiourea
TL;DR: N-(3-chloro-4-methoxybenzyl)-N'-phenylthiourea (CAS 41966-09-0) is a chemical compound with molecular formula C15H15ClN2OS and molecular weight 306.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-chloro-4-methoxyphenyl)methyl]-3-phenylthiourea
Also Known As: N-(3-chloro-4-methoxybenzyl)-N'-phenylthiourea, 3-[(3-chloro-4-methoxyphenyl)methyl]-1-phenylthiourea, 1-(3-chloro-4-methoxybenzyl)-3-phenylthiourea, BAS 00289071, 1-[(3-chloro-4-methoxyphenyl)methyl]-3-phenylthiourea
| Molecular Formula | C15H15ClN2OS |
|---|---|
| Molecular Weight | 306.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.05936 |
| Heavy Atoms | 20 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 41966-09-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNC(=S)NC2=CC=CC=C2)Cl |
| InChIKey | IRUNHOGJRPZECO-UHFFFAOYSA-N |
Product Overview
N-(3-chloro-4-methoxybenzyl)-N'-phenylthiourea (CAS 41966-09-0), with molecular formula C15H15ClN2OS and molecular weight 306.06 g/mol. IUPAC: 1-[(3-chloro-4-methoxyphenyl)methyl]-3-phenylthiourea.
Chemical Property Profile of N-(3-chloro-4-methoxybenzyl)-N'-phenylthiourea
Property Insights of N-(3-chloro-4-methoxybenzyl)-N'-phenylthiourea
The XLogP value of 3.6 indicates that N-(3-chloro-4-methoxybenzyl)-N'-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chloro-4-methoxybenzyl)-N'-phenylthiourea. Following Lipinski's Rule of Five, N-(3-chloro-4-methoxybenzyl)-N'-phenylthiourea has 2 hydrogen bond donor(s) and 2 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-chloro-4-methoxybenzyl)-N'-phenylthiourea?
The CAS number of N-(3-chloro-4-methoxybenzyl)-N'-phenylthiourea is 41966-09-0.
What is the molecular formula of N-(3-chloro-4-methoxybenzyl)-N'-phenylthiourea?
The molecular formula of N-(3-chloro-4-methoxybenzyl)-N'-phenylthiourea is C15H15ClN2OS.
What is the molecular weight of N-(3-chloro-4-methoxybenzyl)-N'-phenylthiourea?
The molecular weight of N-(3-chloro-4-methoxybenzyl)-N'-phenylthiourea is 306.06 g/mol.
Where can I buy N-(3-chloro-4-methoxybenzyl)-N'-phenylthiourea?
You can request a quote for N-(3-chloro-4-methoxybenzyl)-N'-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-4-methoxybenzyl)-N'-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-methoxybenzyl)-N'-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.