![1-[(4-chlorophenyl)methyl]-3-(9H-xanthene-9-carbonylamino)thiourea structure](/static/products/7067/706775-31-7.webp)
1-[(4-chlorophenyl)methyl]-3-(9H-xanthene-9-carbonylamino)thiourea
TL;DR: 1-[(4-chlorophenyl)methyl]-3-(9H-xanthene-9-carbonylamino)thiourea (CAS 706775-31-7) is a chemical compound with molecular formula C22H18ClN3O2S and molecular weight 423.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-3-(9H-xanthene-9-carbonylamino)thiourea
Also Known As: 1-[(4-chlorophenyl)methyl]-3-(9H-xanthene-9-carbonylamino)thiourea, N-(4-chlorobenzyl)-2-(9H-xanthen-9-ylcarbonyl)hydrazinecarbothioamide, N-[({[(4-chlorophenyl)methyl]amino}thioxomethyl)amino]xanthen-9-ylcarboxamide
| Molecular Formula | C22H18ClN3O2S |
|---|---|
| Molecular Weight | 423.08 g/mol |
| LogP | 4.2731 |
| Topological Polar Surface Area | 62.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.0808 |
| Heavy Atoms | 29 |
| Complexity | 1010.43286 |
Chemical Identifiers
| CAS Number | 706775-31-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NNC(=S)NCC4=CC=C(C=C4)Cl |
Product Overview
1-[(4-chlorophenyl)methyl]-3-(9H-xanthene-9-carbonylamino)thiourea (CAS 706775-31-7), with molecular formula C22H18ClN3O2S and molecular weight 423.08 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-3-(9H-xanthene-9-carbonylamino)thiourea.
Chemical Property Profile of 1-[(4-chlorophenyl)methyl]-3-(9H-xanthene-9-carbonylamino)thiourea
Property Insights of 1-[(4-chlorophenyl)methyl]-3-(9H-xanthene-9-carbonylamino)thiourea
The XLogP value of 4.2731 indicates that 1-[(4-chlorophenyl)methyl]-3-(9H-xanthene-9-carbonylamino)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-chlorophenyl)methyl]-3-(9H-xanthene-9-carbonylamino)thiourea. Following Lipinski's Rule of Five, 1-[(4-chlorophenyl)methyl]-3-(9H-xanthene-9-carbonylamino)thiourea has 3 hydrogen bond donor(s) and 3 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 1-[(4-chlorophenyl)methyl]-3-(9H-xanthene-9-carbonylamino)thiourea?
The CAS number of 1-[(4-chlorophenyl)methyl]-3-(9H-xanthene-9-carbonylamino)thiourea is 706775-31-7.
What is the molecular formula of 1-[(4-chlorophenyl)methyl]-3-(9H-xanthene-9-carbonylamino)thiourea?
The molecular formula of 1-[(4-chlorophenyl)methyl]-3-(9H-xanthene-9-carbonylamino)thiourea is C22H18ClN3O2S.
What is the molecular weight of 1-[(4-chlorophenyl)methyl]-3-(9H-xanthene-9-carbonylamino)thiourea?
The molecular weight of 1-[(4-chlorophenyl)methyl]-3-(9H-xanthene-9-carbonylamino)thiourea is 423.08 g/mol.
Where can I buy 1-[(4-chlorophenyl)methyl]-3-(9H-xanthene-9-carbonylamino)thiourea?
You can request a quote for 1-[(4-chlorophenyl)methyl]-3-(9H-xanthene-9-carbonylamino)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-chlorophenyl)methyl]-3-(9H-xanthene-9-carbonylamino)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-chlorophenyl)methyl]-3-(9H-xanthene-9-carbonylamino)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.