![1-(3-Chlorophenyl)-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea structure](/static/products/4977/49773-69-5.webp)
1-(3-Chlorophenyl)-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea
TL;DR: 1-(3-Chlorophenyl)-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea (CAS 49773-69-5) is a chemical compound with molecular formula C16H16ClN3O2S and molecular weight 349.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea
Also Known As: 1-(3-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea, 3,4-dimethoxybenzaldehyde N-(3-chlorophenyl)thiosemicarbazone
| Molecular Formula | C16H16ClN3O2S |
|---|---|
| Molecular Weight | 349.07 g/mol |
| LogP | 3.6777 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.0652 |
| Heavy Atoms | 23 |
| Complexity | 722.22156 |
Chemical Identifiers
| CAS Number | 49773-69-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=NNC(=S)NC2=CC(=CC=C2)Cl)OC |
Product Overview
1-(3-Chlorophenyl)-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea (CAS 49773-69-5), with molecular formula C16H16ClN3O2S and molecular weight 349.07 g/mol. IUPAC: 1-(3-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea.
Chemical Property Profile of 1-(3-Chlorophenyl)-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea
Property Insights of 1-(3-Chlorophenyl)-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea
The XLogP value of 3.6777 indicates that 1-(3-Chlorophenyl)-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, 1-(3-Chlorophenyl)-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)-3-[(3,4-dimethoxyphenyl)methylideneamino]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 1-(3-Chlorophenyl)-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea?
The CAS number of 1-(3-Chlorophenyl)-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea is 49773-69-5.
What is the molecular formula of 1-(3-Chlorophenyl)-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea?
The molecular formula of 1-(3-Chlorophenyl)-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea is C16H16ClN3O2S.
What is the molecular weight of 1-(3-Chlorophenyl)-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea?
The molecular weight of 1-(3-Chlorophenyl)-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea is 349.07 g/mol.
Where can I buy 1-(3-Chlorophenyl)-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea?
You can request a quote for 1-(3-Chlorophenyl)-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chlorophenyl)-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorophenyl)-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.