2,3-Dimethoxy-4-hydroxy-6-thiosemicarbazonobenzocycloheptane
TL;DR: 2,3-Dimethoxy-4-hydroxy-6-thiosemicarbazonobenzocycloheptane (CAS 50823-50-2) is a chemical compound with molecular formula C14H19N3O3S and molecular weight 309.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4-hydroxy-2,3-dimethoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)amino]thiourea
Also Known As: 2,3-Dimethoxy-4-hydroxy-6-thiosemicarbazonobenzocycloheptane
| Molecular Formula | C14H19N3O3S |
|---|---|
| Molecular Weight | 309.11 g/mol |
| LogP | 1.4774 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.11472 |
| Heavy Atoms | 21 |
| Complexity | 587.31726 |
Chemical Identifiers
| CAS Number | 50823-50-2 |
|---|---|
| SMILES | COC1=C(C(=C2CC(=NNC(=S)N)CCCC2=C1)O)OC |
Product Overview
2,3-Dimethoxy-4-hydroxy-6-thiosemicarbazonobenzocycloheptane (CAS 50823-50-2), with molecular formula C14H19N3O3S and molecular weight 309.11 g/mol. IUPAC: [(4-hydroxy-2,3-dimethoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)amino]thiourea.
Chemical Property Profile of 2,3-Dimethoxy-4-hydroxy-6-thiosemicarbazonobenzocycloheptane
Property Insights of 2,3-Dimethoxy-4-hydroxy-6-thiosemicarbazonobenzocycloheptane
The XLogP value of 1.4774 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dimethoxy-4-hydroxy-6-thiosemicarbazonobenzocycloheptane. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dimethoxy-4-hydroxy-6-thiosemicarbazonobenzocycloheptane. Following Lipinski's Rule of Five, 2,3-Dimethoxy-4-hydroxy-6-thiosemicarbazonobenzocycloheptane has 3 hydrogen bond donor(s) and 5 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 2,3-Dimethoxy-4-hydroxy-6-thiosemicarbazonobenzocycloheptane?
The CAS number of 2,3-Dimethoxy-4-hydroxy-6-thiosemicarbazonobenzocycloheptane is 50823-50-2.
What is the molecular formula of 2,3-Dimethoxy-4-hydroxy-6-thiosemicarbazonobenzocycloheptane?
The molecular formula of 2,3-Dimethoxy-4-hydroxy-6-thiosemicarbazonobenzocycloheptane is C14H19N3O3S.
What is the molecular weight of 2,3-Dimethoxy-4-hydroxy-6-thiosemicarbazonobenzocycloheptane?
The molecular weight of 2,3-Dimethoxy-4-hydroxy-6-thiosemicarbazonobenzocycloheptane is 309.11 g/mol.
Where can I buy 2,3-Dimethoxy-4-hydroxy-6-thiosemicarbazonobenzocycloheptane?
You can request a quote for 2,3-Dimethoxy-4-hydroxy-6-thiosemicarbazonobenzocycloheptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimethoxy-4-hydroxy-6-thiosemicarbazonobenzocycloheptane?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethoxy-4-hydroxy-6-thiosemicarbazonobenzocycloheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.