ZA5TVD7MX5
TL;DR: ZA5TVD7MX5 (CAS 34545-87-4) is a chemical compound with molecular formula C16H18N4O2S and molecular weight 330.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-butylsulfanyl-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione
Also Known As: 1H-Imidazo(4,5-d)pyridazine-4,7-dione, 2-(butylthio)-5,6-dihydro-1-(phenylmethyl)-, 1-benzyl-2-(butylsulfanyl)-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione, 3-benzyl-2-butylsulfanyl-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione, 1-Benzyl-2-(butylthio)-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione, 3-benzyl-2-butylsulfanyl-5,6-dihydroimidazo[4,5-d]pyridazine
| Molecular Formula | C16H18N4O2S |
|---|---|
| Molecular Weight | 330.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.11505 |
| Heavy Atoms | 23 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 34545-87-4 |
|---|---|
| SMILES | CCCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NNC2=O |
| InChIKey | KVUMLIVRLQVRNW-UHFFFAOYSA-N |
Product Overview
ZA5TVD7MX5 (CAS 34545-87-4), with molecular formula C16H18N4O2S and molecular weight 330.12 g/mol. IUPAC: 3-benzyl-2-butylsulfanyl-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione.
Chemical Property Profile of ZA5TVD7MX5
Property Insights of ZA5TVD7MX5
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ZA5TVD7MX5. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ZA5TVD7MX5. Following Lipinski's Rule of Five, ZA5TVD7MX5 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 ZA5TVD7MX5?
The CAS number of ZA5TVD7MX5 is 34545-87-4.
What is the molecular formula of ZA5TVD7MX5?
The molecular formula of ZA5TVD7MX5 is C16H18N4O2S.
What is the molecular weight of ZA5TVD7MX5?
The molecular weight of ZA5TVD7MX5 is 330.12 g/mol.
Where can I buy ZA5TVD7MX5?
You can request a quote for ZA5TVD7MX5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ZA5TVD7MX5?
Yes, KEHONG BIO provides custom synthesis services for ZA5TVD7MX5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.