1-Benzyl-1H-imidazo(4,5-d)pyridazine-2,4,7-trithiol
TL;DR: 1-Benzyl-1H-imidazo(4,5-d)pyridazine-2,4,7-trithiol (CAS 3438-74-2) is a chemical compound with molecular formula C12H10N4S3 and molecular weight 306.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-2,4,7-trithione
Also Known As: NCIOpen2_008192, 1-Benzyl-1H-imidazo(4,5-d)pyridazine-2,4,7-trithiol, 3-benzyl-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-2,4,7-trithione, 2,4,7-Trimercapto-1-benzyl-1H-imidazo<4,5-d>pyridazin, 2H-Imidazo(4,5-d)pyridazine-2-thione, 1,3-dihydro-4,7-dimercapto-1-(phenylmethyl)-
| Molecular Formula | C12H10N4S3 |
|---|---|
| Molecular Weight | 306.01 g/mol |
| LogP | 3.86237 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.00677 |
| Heavy Atoms | 19 |
| Complexity | 898.35455 |
Chemical Identifiers
| CAS Number | 3438-74-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C(=S)NNC3=S)NC2=S |
Product Overview
1-Benzyl-1H-imidazo(4,5-d)pyridazine-2,4,7-trithiol (CAS 3438-74-2), with molecular formula C12H10N4S3 and molecular weight 306.01 g/mol. IUPAC: 3-benzyl-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-2,4,7-trithione.
Chemical Property Profile of 1-Benzyl-1H-imidazo(4,5-d)pyridazine-2,4,7-trithiol
Property Insights of 1-Benzyl-1H-imidazo(4,5-d)pyridazine-2,4,7-trithiol
The XLogP value of 3.86237 indicates that 1-Benzyl-1H-imidazo(4,5-d)pyridazine-2,4,7-trithiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, 1-Benzyl-1H-imidazo(4,5-d)pyridazine-2,4,7-trithiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-1H-imidazo(4,5-d)pyridazine-2,4,7-trithiol 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-Benzyl-1H-imidazo(4,5-d)pyridazine-2,4,7-trithiol?
The CAS number of 1-Benzyl-1H-imidazo(4,5-d)pyridazine-2,4,7-trithiol is 3438-74-2.
What is the molecular formula of 1-Benzyl-1H-imidazo(4,5-d)pyridazine-2,4,7-trithiol?
The molecular formula of 1-Benzyl-1H-imidazo(4,5-d)pyridazine-2,4,7-trithiol is C12H10N4S3.
What is the molecular weight of 1-Benzyl-1H-imidazo(4,5-d)pyridazine-2,4,7-trithiol?
The molecular weight of 1-Benzyl-1H-imidazo(4,5-d)pyridazine-2,4,7-trithiol is 306.01 g/mol.
Where can I buy 1-Benzyl-1H-imidazo(4,5-d)pyridazine-2,4,7-trithiol?
You can request a quote for 1-Benzyl-1H-imidazo(4,5-d)pyridazine-2,4,7-trithiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-1H-imidazo(4,5-d)pyridazine-2,4,7-trithiol?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-1H-imidazo(4,5-d)pyridazine-2,4,7-trithiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.