methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate
TL;DR: methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate (CAS 26281-63-0) is a chemical compound with molecular formula C7H13N3O2 and molecular weight 171.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate
Also Known As: methyl 2-imino-1,3-diazepane-4-carboxylate, methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate, Hexahydro-2-imino-1H-1,3-diazepine-4-carboxylicacidmethylester, Hexahydro-2-imino-1H-1,3-diazepine-4-carboxylic acid methyl ester, Methyl 2-amino-4,5,6,7-tetrahydro-3H-1,3-diazepine-4-carboxylate
| Molecular Formula | C7H13N3O2 |
|---|---|
| Molecular Weight | 171.10 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.10077 |
| Heavy Atoms | 12 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 26281-63-0 |
|---|---|
| SMILES | COC(=O)C1CCCN=C(N1)N |
| InChIKey | AQLXUCVFVMSEPD-UHFFFAOYSA-N |
Product Overview
methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate (CAS 26281-63-0), with molecular formula C7H13N3O2 and molecular weight 171.10 g/mol. IUPAC: methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate.
Chemical Property Profile of methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate
Property Insights of methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate
The XLogP value of -0.7 indicates that methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate. Following Lipinski's Rule of Five, methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate has 2 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 methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate?
The CAS number of methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate is 26281-63-0.
What is the molecular formula of methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate?
The molecular formula of methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate is C7H13N3O2.
What is the molecular weight of methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate?
The molecular weight of methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate is 171.10 g/mol.
Where can I buy methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate?
You can request a quote for methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.