6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-7-methyl-, monohydrochloride
TL;DR: 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-7-methyl-, monohydrochloride (CAS 54978-24-4) is a chemical compound with molecular formula C4H8ClN5O and molecular weight 177.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-6-methyl-1,2-dihydro-1,2,4,5-tetrazepin-7-one;hydrochloride
Also Known As: 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-7-methyl-, monohydrochloride, 3-Amino-2,5-dihydro-7-methyl-6H-1,2,4,5-tetrazepin-6-one monohydrochloride, 1,2,4-Trihydro-3-imino-6-methyl-7-keto-3H-1,2,4,5-tetrazepine hydrochloride, 3-amino-6-methyl-1,2-dihydro-1,2,4,5-tetrazepin-7-one hydrochloride, 3-Amino-7-methyl-4,5-dihydro-6H-1,2,4,5-tetrazepin-6-one--hydrogen chloride (1/1)
| Molecular Formula | C4H8ClN5O |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | -1.2668 |
| Topological Polar Surface Area | 91.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.04173 |
| Heavy Atoms | 11 |
| Complexity | 222.52231 |
Chemical Identifiers
| CAS Number | 54978-24-4 |
|---|---|
| SMILES | CC1=NN=C(NNC1=O)N.Cl |
Product Overview
6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-7-methyl-, monohydrochloride (CAS 54978-24-4), with molecular formula C4H8ClN5O and molecular weight 177.04 g/mol. IUPAC: 3-amino-6-methyl-1,2-dihydro-1,2,4,5-tetrazepin-7-one;hydrochloride.
Chemical Property Profile of 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-7-methyl-, monohydrochloride
Property Insights of 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-7-methyl-, monohydrochloride
The XLogP value of -1.2668 indicates that 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-7-methyl-, monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-7-methyl-, monohydrochloride. Following Lipinski's Rule of Five, 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-7-methyl-, monohydrochloride 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 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-7-methyl-, monohydrochloride?
The CAS number of 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-7-methyl-, monohydrochloride is 54978-24-4.
What is the molecular formula of 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-7-methyl-, monohydrochloride?
The molecular formula of 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-7-methyl-, monohydrochloride is C4H8ClN5O.
What is the molecular weight of 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-7-methyl-, monohydrochloride?
The molecular weight of 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-7-methyl-, monohydrochloride is 177.04 g/mol.
Where can I buy 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-7-methyl-, monohydrochloride?
You can request a quote for 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-7-methyl-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-7-methyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-7-methyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.