6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-, dihydrochloride
TL;DR: 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-, dihydrochloride (CAS 54978-23-3) is a chemical compound with molecular formula C3H7Cl2N5O and molecular weight 199.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1,4-dihydro-1,2,4,5-tetrazepin-7-one;dihydrochloride
Also Known As: 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-, dihydrochloride, 3-Amino-2,5-dihydro-6H-1,2,4,5-tetrazepin-6-one dihydrochloride, 1,2,4-Trihydro-3-imino-7-keto-3H-1,2,4,5-tetrazepine dihydrochloride, 3-amino-1,4-dihydro-1,2,4,5-tetrazepin-7-one dihydrochloride, 3-Amino-2,5-dihydro-6H-1,2,4,5-tetrazepin-6-one--hydrogen chloride (1/2)
| Molecular Formula | C3H7Cl2N5O |
|---|---|
| Molecular Weight | 199.00 g/mol |
| LogP | -1.2351 |
| Topological Polar Surface Area | 91.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.00276 |
| Heavy Atoms | 11 |
| Complexity | 190.16655 |
Chemical Identifiers
| CAS Number | 54978-23-3 |
|---|---|
| SMILES | C1=NNC(=NNC1=O)N.Cl.Cl |
Product Overview
6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-, dihydrochloride (CAS 54978-23-3), with molecular formula C3H7Cl2N5O and molecular weight 199.00 g/mol. IUPAC: 3-amino-1,4-dihydro-1,2,4,5-tetrazepin-7-one;dihydrochloride.
Chemical Property Profile of 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-, dihydrochloride
Property Insights of 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-, dihydrochloride
The XLogP value of -1.2351 indicates that 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-, dihydrochloride 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-, dihydrochloride. Following Lipinski's Rule of Five, 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-, dihydrochloride 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-, dihydrochloride?
The CAS number of 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-, dihydrochloride is 54978-23-3.
What is the molecular formula of 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-, dihydrochloride?
The molecular formula of 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-, dihydrochloride is C3H7Cl2N5O.
What is the molecular weight of 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-, dihydrochloride?
The molecular weight of 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-, dihydrochloride is 199.00 g/mol.
Where can I buy 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-, dihydrochloride?
You can request a quote for 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-, dihydrochloride 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-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.