![1-benzyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)thiourea structure](/static/products/6809/6809-13-8.webp)
1-benzyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)thiourea
TL;DR: 1-benzyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)thiourea (CAS 6809-13-8) is a chemical compound with molecular formula C27H26ClN3S and molecular weight 459.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)thiourea
Also Known As: 1-benzyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)thiourea, 1-BENZYL-1-({1-[(2-CHLOROPHENYL)METHYL]-1H-PYRROL-2-YL}METHYL)-3-(2-METHYLPHENYL)THIOUREA, N-Benzyl-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(2-methylphenyl)thiourea
| Molecular Formula | C27H26ClN3S |
|---|---|
| Molecular Weight | 459.15 g/mol |
| LogP | 6.89742 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.1536 |
| Heavy Atoms | 32 |
| Complexity | 1186.2528 |
Chemical Identifiers
| CAS Number | 6809-13-8 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=S)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC=CC=C4Cl |
Product Overview
1-benzyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)thiourea (CAS 6809-13-8), with molecular formula C27H26ClN3S and molecular weight 459.15 g/mol. IUPAC: 1-benzyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)thiourea.
Chemical Property Profile of 1-benzyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)thiourea
Property Insights of 1-benzyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)thiourea
The XLogP value of 6.89742 indicates that 1-benzyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 1-benzyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)thiourea has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-benzyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)thiourea?
The CAS number of 1-benzyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)thiourea is 6809-13-8.
What is the molecular formula of 1-benzyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)thiourea?
The molecular formula of 1-benzyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)thiourea is C27H26ClN3S.
What is the molecular weight of 1-benzyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)thiourea?
The molecular weight of 1-benzyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)thiourea is 459.15 g/mol.
Where can I buy 1-benzyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)thiourea?
You can request a quote for 1-benzyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.