4,5,6,7-四氢-1H-1,3-二氮杂卓-2-胺
TL;DR: 4,5,6,7-四氢-1H-1,3-二氮杂卓-2-胺 (CAS 26281-62-9) is a chemical compound with molecular formula C5H11N3 and molecular weight 113.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,7-四氢-1H-1,3-二氮杂卓-2-胺
4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
Also Known As: 1,3-diazepan-2-imine, 2-Imino-1,3-diazacycloheptane, 4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine, Hexahydro-2-imino-1H-1,3-diazepine, 2-amino-4,5,6,7-tetrahydro-1h-1,3-diazepine
| Molecular Formula | C5H11N3 |
|---|---|
| Molecular Weight | 113.10 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.0953 |
| Heavy Atoms | 8 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 26281-62-9 |
|---|---|
| SMILES | C1CCN=C(NC1)N |
| InChIKey | PSPSJAOXZPGONF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5,6,7-四氢-1H-1,3-二氮杂卓-2-胺 (CAS 26281-62-9), with molecular formula C5H11N3 and molecular weight 113.10 g/mol. IUPAC: 4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine.
Chemical Property Profile of 4,5,6,7-四氢-1H-1,3-二氮杂卓-2-胺
Property Insights of 4,5,6,7-四氢-1H-1,3-二氮杂卓-2-胺
The XLogP value of -0.6 indicates that 4,5,6,7-四氢-1H-1,3-二氮杂卓-2-胺 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.4 Ų, 4,5,6,7-四氢-1H-1,3-二氮杂卓-2-胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6,7-四氢-1H-1,3-二氮杂卓-2-胺 has 2 hydrogen bond donor(s) and 1 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 4,5,6,7-四氢-1H-1,3-二氮杂卓-2-胺?
The CAS number of 4,5,6,7-四氢-1H-1,3-二氮杂卓-2-胺 is 26281-62-9.
What is the molecular formula of 4,5,6,7-四氢-1H-1,3-二氮杂卓-2-胺?
The molecular formula of 4,5,6,7-四氢-1H-1,3-二氮杂卓-2-胺 is C5H11N3.
What is the molecular weight of 4,5,6,7-四氢-1H-1,3-二氮杂卓-2-胺?
The molecular weight of 4,5,6,7-四氢-1H-1,3-二氮杂卓-2-胺 is 113.10 g/mol.
Where can I buy 4,5,6,7-四氢-1H-1,3-二氮杂卓-2-胺?
You can request a quote for 4,5,6,7-四氢-1H-1,3-二氮杂卓-2-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,7-四氢-1H-1,3-二氮杂卓-2-胺?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-四氢-1H-1,3-二氮杂卓-2-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.