4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide
TL;DR: 4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide (CAS 33204-40-9) is a chemical compound with molecular formula C11H17N3O2S and molecular weight 255.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
Also Known As: 4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide, 1-amino-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea, 4- -3-THIOSEMICARBAZIDE, N-(3,4-Dimethoxyphenethyl)hydrazinecarbothioamide, 5033AE
| Molecular Formula | C11H17N3O2S |
|---|---|
| Molecular Weight | 255.10 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.10414 |
| Heavy Atoms | 17 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 33204-40-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=S)NN)OC |
| InChIKey | QQXGPRQIXQPVTQ-UHFFFAOYSA-N |
Product Overview
4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide (CAS 33204-40-9), with molecular formula C11H17N3O2S and molecular weight 255.10 g/mol. IUPAC: 1-amino-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea.
Chemical Property Profile of 4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide
Property Insights of 4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide. Following Lipinski's Rule of Five, 4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide has 3 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 4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide?
The CAS number of 4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide is 33204-40-9.
What is the molecular formula of 4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide?
The molecular formula of 4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide is C11H17N3O2S.
What is the molecular weight of 4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide?
The molecular weight of 4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide is 255.10 g/mol.
Where can I buy 4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide?
You can request a quote for 4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.